Chemical Properties of Sulfisomidine (CAS 515-64-0)

Sulfisomidine

InChI
InChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
InChI Key
YZMCKZRAOLZXAZ-UHFFFAOYSA-N
Formula
C12H14N4O2S
SMILES
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1
Molecular Weight1
278.33
CAS
515-64-0
Other Names
  • 4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide
  • Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-
  • Sulfanilamide, N
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Physical Properties

Property Value Unit Source
ω 0.7722 Relay (1.0) Calculated Property
ΔfG° 165.67 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -157.22 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 118.03 kJ/mol Relay (1.0) Calculated Property
IE 7.83 eV Relay (1.0) Calculated Property
log10WS -2.28 Aq. Solubility Prediction
logPoct/wat 1.476 Crippen Calculated Property
McVol 200.430 ml/mol McGowan Calculated Property
Pc 3190.38 kPa Relay (1.0-beta) Calculated Property
Tboil 676.28 K Relay (1.0) Calculated Property
Tc 1015.63 K Relay (1.0) Calculated Property
Tfus 523.60 ± 0.50 K NIST
Vc 0.707 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 42.70 kJ/mol 523.60 NIST

Similar Compounds

sulfamethomidine. sulfadimethoxine. «delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. propyl-«delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. Mifepristone. Retroisosensine. N-Desmethylmirtazapine. Glyceollin III, TMS. Glyceollin V, TMS. Retroisosenine. 5'-S-Methyl-5'-thioadenosine, O,O'-bis(trifluoroacetyl)-. risperidone. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Hydroxy-N-methylcytisine. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate.

Find more compounds similar to Sulfisomidine.

Sources

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