2-(hydrazinecarbonyl)-3-phenyl-1H-indole-5-sulfonamide

• ChemBase ID: 6262
• Molecular Formular: C15H14N4O3S
• Molecular Mass: 330.36166
• Monoisotopic Mass: 330.07866133
• SMILES: c1ccccc1c1c2cc(S(=O)(=O)N)ccc2[nH]c1C(=O)NN
• Canonical SMILES: NNC(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)S(=O)(=O)N
• InChI: InChI=1S/C15H14N4O3S/c16-19-15(20)14-13(9-4-2-1-3-5-9)11-8-10(23(17,21)22)6-7-12(11)18-14/h1-8,18H,16H2,(H,19,20)(H2,17,21,22)
• InChIKey: PPDLAUCFAOODER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(hydrazinecarbonyl)-3-phenyl-1H-indole-5-sulfonamide
• IUPAC Traditional name: 2-(hydrazinecarbonyl)-3-phenyl-1H-indole-5-sulfonamide
• Synonyms: 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide

Database IDs

• PubChem SID: 160969687; 99445130
• PubChem CID: 14611919

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.088884
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 0.79840505
• LogD (pH = 7.4): 0.7986304
• Log P: 0.79942966
• Molar Refractivity: 87.8786 cm^3
• Polarizability: 36.021534 Å^3
• Polar Surface Area: 131.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 1.48
• LOG S: -3.83
• Solubility (Water): 4.87e-02 g/l

DETAILS

DrugBank - DB08659

Drug information: experimental