Chemical Properties of Sulfamoxole (CAS 729-99-7)

InChI

InChI=1S/C11H13N3O3S/c1-7-8(2)17-11(13-7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3,(H,13,14)

InChI Key

CYFLXLSBHQBMFT-UHFFFAOYSA-N

Formula

SMILES

Cc1nc(NS(=O)(=O)c2ccc(N)cc2)oc1C

Molecular Weight¹

267.30

CAS

729-99-7

Other Names

2-(p-Aminobenzenesulfonamido)-4,5-dimethyloxazole
2-(p-Aminobenzolsulfonamido)-4,5-dimethyloxazol
4,5-Dimethyl-2-sulfanilamidooxazole
4-Amino-N-(4,5-dimethyl-2-oxazolyl)benzenesulfonamide
Benzenesulfonamide, 4-amino-N-(4,5-dimethyl-2-oxazolyl)-
Justamil
N1-(4,5-Dimethyl-2-oxazolyl)sulfanilamide
N1-(4,5-Dimethyloxazol-2-yl)-sulfanilamide
NSC 683535
Oxasulfa
Oxazole, 2-(p-aminophenylsulfonylamino)-4,5-dimethyl-
Sulfabutin
Sulfadimethyloxazole
Sulfamoxolum
Sulfanilamide, N1-(4,5-dimethyl-2-oxazolyl)-
Sulfano
Sulfavigor
Sulfmidil
Sulfune
Sulfuno
Sulphamoxole
Tardamid
Tardamide
p-Aminobenzenesulfonyl-2-amino-4,5-dimethyloxazole

ω : Acentric Factor.
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
IE : Ionization energy (eV).
log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
P_c : Critical Pressure (kPa).
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.7542		Relay (1.0) Calculated Property
Δ_fG°	35.10	kJ/mol	Relay (1.0-beta) Calculated Property
Δ_fH°_gas	-345.80	kJ/mol	Relay (1.0) Calculated Property
Δ_vapH°	113.65	kJ/mol	Relay (1.0) Calculated Property
IE	7.66	eV	Relay (1.0) Calculated Property
log₁₀WS	-2.44		Aq. Solubility Prediction
logP_oct/wat	1.674		Crippen Calculated Property
McVol	186.530	ml/mol	McGowan Calculated Property
P_c	3113.67	kPa	Relay (1.0-beta) Calculated Property
T_boil	659.33	K	Relay (1.0) Calculated Property
T_c	976.79	K	Relay (1.0) Calculated Property
T_fus	481.00 ± 1.00	K	NIST
V_c	0.678	m³/kmol	Relay (1.0) Calculated Property

Similar Compounds

Cytosine arabinoside, dimethyl-TMS derivative.

N-Acetylnornarcotine.

Bendroflumethiazide.

Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-cyclotetramethylene-isopropylsilyl.

Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-tertbutylsilyl.

Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-isopropylsilyl.

Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-isopropylsilyl.

Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TBDMS.

Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl.

Thymidine, 3'-O-TFA, 5'-O-cyclotetramethylene-tertbutylsilyl.

Baptifoline.

Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-TMS.

Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl.

5'-S-Methyl-5'-thioadenosine, O,O'-bis(trifluoroacetyl)-.

1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline.

Find more compounds similar to Sulfamoxole.

Sources

Cheméo Relay (1.0)
Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
Crippen Method
Aqueous Solubility Prediction Method
McGowan Method
NIST Webbook

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