phenyl N-(4-sulfamoylphenyl)carbamate

• ChemBase ID: 253813
• Molecular Formular: C13H12N2O4S
• Molecular Mass: 292.31038
• Monoisotopic Mass: 292.05177787
• SMILES: S(=O)(=O)(c1ccc(NC(=O)Oc2ccccc2)cc1)N
• Canonical SMILES: O=C(Oc1ccccc1)Nc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C13H12N2O4S/c14-20(17,18)12-8-6-10(7-9-12)15-13(16)19-11-4-2-1-3-5-11/h1-9H,(H,15,16)(H2,14,17,18)
• InChIKey: CTEABFGCSJPNEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl N-(4-sulfamoylphenyl)carbamate
• IUPAC Traditional name: phenyl N-(4-sulfamoylphenyl)carbamate
• Synonyms: phenyl 4-(aminosulfonyl)phenylcarbamate

Database IDs

• CAS Number: 41104-56-7
• MDL Number: MFCD00594459
• PubChem SID: 164309723
• PubChem CID: 15708417

CALCULATED PROPERTIES

• Acid pKa: 10.205491
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.094229
• LogD (pH = 7.4): 2.0936346
• Log P: 2.0942366
• Molar Refractivity: 74.4801 cm^3
• Polarizability: 28.947111 Å^3
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.695

Product Information

• Purity: 95%