N-benzyl{[4-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)phenyl]amino}sulfonamide

• ChemBase ID: 786207
• Molecular Formular: C15H16N6O2S
• Molecular Mass: 344.39154
• Monoisotopic Mass: 344.10554478
• SMILES: n1(nnnc1C)c1ccc(NS(=O)(=O)NCc2ccccc2)cc1
• Canonical SMILES: Cc1nnnn1c1ccc(cc1)NS(=O)(=O)NCc1ccccc1
• InChI: InChI=1S/C15H16N6O2S/c1-12-17-19-20-21(12)15-9-7-14(8-10-15)18-24(22,23)16-11-13-5-3-2-4-6-13/h2-10,16,18H,11H2,1H3
• InChIKey: RPVKTBFCIZRXAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl{[4-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)phenyl]amino}sulfonamide
• IUPAC Traditional name: N-benzyl{[4-(5-methyl-1,2,3,4-tetrazol-1-yl)phenyl]amino}sulfonamide
• Synonyms: N-benzyl-N'-[4-(5-methyl-1H-tetrazol-1-yl)phenyl]sulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.410602
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.99896383
• LogD (pH = 7.4): 0.99859357
• Log P: 0.99896884
• Molar Refractivity: 92.4008 cm^3
• Polarizability: 35.692547 Å^3
• Polar Surface Area: 101.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.58
• LOG S: -3.06
• Polar Surface Area: 101.8 Å^2
• Rotatable Bonds: 4