N-(6-bromonaphthalen-2-yl)methanesulfonamide

• ChemBase ID: 63729
• Molecular Formular: C11H10BrNO2S
• Molecular Mass: 300.1716
• Monoisotopic Mass: 298.96156157
• SMILES: CS(=O)(=O)Nc1cc2c(cc(Br)cc2)cc1
• Canonical SMILES: Brc1ccc2c(c1)ccc(c2)NS(=O)(=O)C
• InChI: InChI=1S/C11H10BrNO2S/c1-16(14,15)13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7,13H,1H3
• InChIKey: CFCFBYXYRVYAPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-bromonaphthalen-2-yl)methanesulfonamide
• IUPAC Traditional name: N-(6-bromonaphthalen-2-yl)methanesulfonamide
• Synonyms: N-(6-Bromonaphthalen-2-yl)methanesulfonamide

Database IDs

• CAS Number: 1132940-86-3
• MDL Number: MFCD13191640
• PubChem SID: 162029468
• PubChem CID: 49758834

CALCULATED PROPERTIES

• Acid pKa: 9.645759
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1045868
• LogD (pH = 7.4): 2.1024363
• Log P: 2.1046145
• Molar Refractivity: 66.8142 cm^3
• Polarizability: 27.705627 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%