4-(2-formyl-1H-pyrrol-1-yl)benzene-1-sulfonamide

• ChemBase ID: 311244
• Molecular Formular: C11H10N2O3S
• Molecular Mass: 250.2737
• Monoisotopic Mass: 250.04121319
• SMILES: S(=O)(=O)(c1ccc(n2c(ccc2)C=O)cc1)N
• Canonical SMILES: O=Cc1cccn1c1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C11H10N2O3S/c12-17(15,16)11-5-3-9(4-6-11)13-7-1-2-10(13)8-14/h1-8H,(H2,12,15,16)
• InChIKey: GLIUQFSIKLMRCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-formyl-1H-pyrrol-1-yl)benzene-1-sulfonamide
• IUPAC Traditional name: 4-(2-formylpyrrol-1-yl)benzenesulfonamide
• Synonyms: 4-(2-formyl-1H-pyrrol-1-yl)benzenesulfonamide

Database IDs

• CAS Number: 72751-82-7
• MDL Number: MFCD00692848

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1732968
• LogD (pH = 7.4): 1.173151
• Log P: 1.1732987
• Molar Refractivity: 74.4298 cm^3
• Polarizability: 25.493576 Å^3
• Polar Surface Area: 82.16 Å^2