N-cyclopropyl-3-(5-sulfamoylthiophen-2-yl)benzamide

• ChemBase ID: 351997
• Molecular Formular: C14H14N2O3S2
• Molecular Mass: 322.40256
• Monoisotopic Mass: 322.04458432
• SMILES: S(=O)(=O)(c1sc(cc1)c1cc(C(=O)NC2CC2)ccc1)N
• Canonical SMILES: O=C(c1cccc(c1)c1ccc(s1)S(=O)(=O)N)NC1CC1
• InChI: InChI=1S/C14H14N2O3S2/c15-21(18,19)13-7-6-12(20-13)9-2-1-3-10(8-9)14(17)16-11-4-5-11/h1-3,6-8,11H,4-5H2,(H,16,17)(H2,15,18,19)
• InChIKey: JFGXXYZBQIVSAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-(5-sulfamoylthiophen-2-yl)benzamide
• IUPAC Traditional name: N-cyclopropyl-3-(5-sulfamoylthiophen-2-yl)benzamide
• Synonyms: 3-[5-(aminosulfonyl)-2-thienyl]-N-cyclopropylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.937874
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7093863
• LogD (pH = 7.4): 1.6985521
• Log P: 1.7095269
• Molar Refractivity: 80.5882 cm^3
• Polarizability: 32.88506 Å^3
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.84
• LOG S: -2.27
• Polar Surface Area: 89.26 Å^2
• Rotatable Bonds: 4