N-hydroxybenzenesulfonamide

• ChemBase ID: 110610
• Molecular Formular: C6H7NO3S
• Molecular Mass: 173.18968
• Monoisotopic Mass: 173.01466409
• SMILES: ONS(=O)(=O)c1ccccc1
• Canonical SMILES: ONS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
• InChIKey: BRMDATNYMUMZLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxybenzenesulfonamide
• IUPAC Traditional name: benzenesulfonamide, N-hydroxy-
• Synonyms: BENZENESULFOHYDROXAMIC ACID; Benzenesulfhydroxamic acid; N-Hydroxybenzenesulfonamide; N-hydroxybenzenesulfonamide; 苯磺酰异羟肟酸; N-羟基苯磺酰胺

Database IDs

• CAS Number: 599-71-3
• EC Number: 209-973-8
• MDL Number: MFCD00025013
• Beilstein Number: 2257368
• PubChem SID: 162095980; 24847690
• PubChem CID: 69033

CALCULATED PROPERTIES

• Acid pKa: 9.200783
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.57623124
• LogD (pH = 7.4): 0.5866361
• Log P: 0.57609487
• Molar Refractivity: 39.9805 cm^3
• Polarizability: 16.289812 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122-125 °C; 124 - 126°C
• Hydrophobicity(logP): 0.475

Safety Information

• RTECS: MX9350000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... CA1(759), CA2(760), MMP1(4312), MMP2(4313), MMP8(4317), MMP9(4318)

Product Information

• Purity: ≥99.0%; ≥99.0% (T); 95%
• Quality: for spectrophotometric det. of Nb
• Linear Formula: C6H5SO2NHOH

DETAILS

MP Biomedicals - 05215703

MP Biomedicals Rare Chemical collection