N-phenylsulfamic acid

• ChemBase ID: 112043
• Molecular Formular: C6H7NO3S
• Molecular Mass: 173.18968
• Monoisotopic Mass: 173.01466409
• SMILES: OS(=O)(=O)Nc1ccccc1
• Canonical SMILES: OS(=O)(=O)Nc1ccccc1
• InChI: InChI=1S/C6H7NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h1-5,7H,(H,8,9,10)
• InChIKey: BEHLMOQXOSLGHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenylsulfamic acid
• IUPAC Traditional name: N-phenylsulfamic acid
• Synonyms: N-PHENYLSULFAMIC ACID SODIUM SALT

Database IDs

• CAS Number: 15790-84-8
• PubChem SID: 162096826
• PubChem CID: 431079

CALCULATED PROPERTIES

• Acid pKa: -1.2066799
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.911172
• LogD (pH = 7.4): -1.9111919
• Log P: 0.46520653
• Molar Refractivity: 39.9805 cm^3
• Polarizability: 16.320269 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05222316

MP Biomedicals Rare Chemical collection