Chemical Properties of 4-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

4-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

InChI
InChI=1S/C11H14N4O2S2/c1-7(2)10-13-14-11(18-10)15-19(16,17)9-5-3-8(12)4-6-9/h3-7H,12H2,1-2H3,(H,14,15)
InChI Key
OPIGMRDAPFQALU-UHFFFAOYSA-N
Formula
C11H14N4O2S2
SMILES
CC(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
Molecular Weight1
298.39
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Physical Properties

Property Value Unit Source
ω 0.7692 Relay (1.0) Calculated Property
ΔfG° 197.22 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -72.52 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 125.86 kJ/mol Relay (1.0) Calculated Property
IE 7.79 eV Relay (1.0) Calculated Property
log10WS -3.41 Aq. Solubility Prediction
logPoct/wat 2.045 Crippen Calculated Property
McVol 206.990 ml/mol McGowan Calculated Property
Pc 2712.83 kPa Relay (1.0-beta) Calculated Property
Tboil 676.52 K Relay (1.0) Calculated Property
Tc 1000.03 K Relay (1.0) Calculated Property
Tfus 468.34 K Relay (1.0) Calculated Property
Vc 0.731 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide. glybuthiazole. sulfamethizole. Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,6-dimethyl-7,7-tetramethylene. 12-O-Methylcarnosol. Cytisine, N-formyl-. Caulophylline. «delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. Camoensidine. 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (1R)-. N-acetylcytisine. 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-E][1,5]diazocin-4-one, 7,7a,8,9,10,11,13,14-octahydro-, [7R-(7«alpha»,7a«alpha»,14«alpha»)]-. propyl-«delta»1-tetrahydrocannabinolic acid, n-butyl-boronate. Anagyrine. Cytisine.

Find more compounds similar to 4-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Sources

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