1-(benzenesulfonyl)-1H-indole-2-carbohydrazide

• ChemBase ID: 811854
• Molecular Formular: C15H13N3O3S
• Molecular Mass: 315.34702
• Monoisotopic Mass: 315.06776229
• SMILES: c1(cc2ccccc2n1S(=O)(=O)c1ccccc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc2c(n1S(=O)(=O)c1ccccc1)cccc2
• InChI: InChI=1S/C15H13N3O3S/c16-17-15(19)14-10-11-6-4-5-9-13(11)18(14)22(20,21)12-7-2-1-3-8-12/h1-10H,16H2,(H,17,19)
• InChIKey: AIUIILUZZMHBOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzenesulfonyl)-1H-indole-2-carbohydrazide
• IUPAC Traditional name: 1-(benzenesulfonyl)indole-2-carbohydrazide
• Synonyms: 1-(PHENYLSULFONYL)-1H-INDOLE-2-CARBOXYLIC ACID HYDRAZIDE

Database IDs

• CAS Number: 540740-51-0

CALCULATED PROPERTIES

• Polar Surface Area: 94.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 14.032829
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.4752146
• LogD (pH = 7.4): 1.4755433
• Log P: 1.4755476
• Molar Refractivity: 83.6048 cm^3
• Polarizability: 33.51377 Å^3

PROPERTIES

Product Information

• Purity: 98%