4-(cyclopentylcarbamoyl)thiophene-2-sulfonyl chloride

• ChemBase ID: 241183
• Molecular Formular: C10H12ClNO3S2
• Molecular Mass: 293.79018
• Monoisotopic Mass: 292.99471293
• SMILES: S(=O)(=O)(c1cc(C(=O)NC2CCCC2)cs1)Cl
• Canonical SMILES: O=C(c1csc(c1)S(=O)(=O)Cl)NC1CCCC1
• InChI: InChI=1S/C10H12ClNO3S2/c11-17(14,15)9-5-7(6-16-9)10(13)12-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,12,13)
• InChIKey: SSYOEPBMCHBXKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopentylcarbamoyl)thiophene-2-sulfonyl chloride
• IUPAC Traditional name: 4-(cyclopentylcarbamoyl)thiophene-2-sulfonyl chloride
• Synonyms: 4-(cyclopentylcarbamoyl)thiophene-2-sulfonyl chloride

Database IDs

• MDL Number: MFCD21224180
• PubChem SID: 164297093
• PubChem CID: 65367954

CALCULATED PROPERTIES

• Acid pKa: 13.656887
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2950048
• LogD (pH = 7.4): 2.2950048
• Log P: 2.295005
• Molar Refractivity: 66.9062 cm^3
• Polarizability: 26.549639 Å^3
• Polar Surface Area: 63.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.199

Product Information

• Purity: 95%