Chemical Properties of Benzoic acid, 6-furfurylamino-3-sulfamoyl-4-trifluoromethyl- (CAS 17642-12-5)

Benzoic acid, 6-furfurylamino-3-sulfamoyl-4-trifluoromethyl-

InChI
InChI=1S/C13H11F3N2O5S/c14-13(15,16)9-5-10(18-6-7-2-1-3-23-7)8(12(19)20)4-11(9)24(17,21)22/h1-5,18H,6H2,(H,19,20)(H2,17,21,22)
InChI Key
VJXQIJOREQDNBE-UHFFFAOYSA-N
Formula
C13H11F3N2O5S
SMILES
NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1C(F)(F)F
Molecular Weight1
364.30
CAS
17642-12-5
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Physical Properties

Property Value Unit Source
ω 1.0137 Relay (1.0) Calculated Property
ΔfG° -810.20 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1219.03 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 125.28 kJ/mol Relay (1.0) Calculated Property
IE 8.24 eV Relay (1.0) Calculated Property
log10WS -3.90 Relay (1.0) Calculated Property
logPoct/wat 2.256 Crippen Calculated Property
McVol 217.480 ml/mol McGowan Calculated Property
Pc 2101.65 kPa Relay (1.0-beta) Calculated Property
Tboil 675.11 K Relay (1.0) Calculated Property
Tc 975.20 K Relay (1.0) Calculated Property
Tfus 483.70 K Relay (1.0) Calculated Property
Vc 0.768 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-acetyl. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-acetyl. Hydroxy-N-methylcytisine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Benzoic acid, 6-furfurylamino-3-sulfamoyl-4-trifluoromethyl-.

Sources

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