N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide

• ChemBase ID: 5760
• Molecular Formular: C14H12N4O3S
• Molecular Mass: 316.33508
• Monoisotopic Mass: 316.06301126
• SMILES: N(C(=O)c1c2ccccc2[nH]n1)c1ccc(cc1)S(=O)(=O)N
• Canonical SMILES: O=C(c1n[nH]c2c1cccc2)Nc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C14H12N4O3S/c15-22(20,21)10-7-5-9(6-8-10)16-14(19)13-11-3-1-2-4-12(11)17-18-13/h1-8H,(H,16,19)(H,17,18)(H2,15,20,21)
• InChIKey: MNHPHKFLWAPNOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide
• Synonyms: N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide

Database IDs

• PubChem SID: 160969187; 99444604
• PubChem CID: 9926933

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.320502
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.3800111
• LogD (pH = 7.4): 1.3751428
• Log P: 1.3800735
• Molar Refractivity: 83.3925 cm^3
• Polarizability: 32.544205 Å^3
• Polar Surface Area: 117.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 1.83
• LOG S: -4.08
• Solubility (Water): 2.66e-02 g/l

DETAILS

DrugBank - DB08133

Drug information: experimental