2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride

C12H12BrClFNO3S — CID 65367755

IUPAC2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride
SMILESO=C(NC1CCCC1)c1cc(S(=O)(=O)Cl)c(Br)cc1F
InChIInChI=1S/C12H12BrClFNO3S/c13-9-6-10(15)8(5-11(9)20(14,18)19)12(17)16-7-3-1-2-4-7/h5-7H,1-4H2,(H,16,17)
InChIKeyKRFVNRCHIDOWKK-UHFFFAOYSA-N
MW384.65 g/mol
LogP3.19
Rot. Bonds3

About 2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride

2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride (PubChem CID 65367755) has the molecular formula C12H12BrClFNO3S and a molecular weight of 384.65 g/mol. Its IUPAC name is 2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride
PubChem CID65367755
Molecular FormulaC12H12BrClFNO3S
Molecular Weight384.65 g/mol
Exact Mass382.94
IUPAC Name2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride
SMILESO=C(NC1CCCC1)c1cc(S(=O)(=O)Cl)c(Br)cc1F
InChIInChI=1S/C12H12BrClFNO3S/c13-9-6-10(15)8(5-11(9)20(14,18)19)12(17)16-7-3-1-2-4-7/h5-7H,1-4H2,(H,16,17)
InChIKeyKRFVNRCHIDOWKK-UHFFFAOYSA-N
XLogP3.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.65
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 65396064
2-bromo-3-(cyclopentylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65367953
2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65370657
3-(cyclohexylcarbamoyl)-2,5-difluorobenzenesulfonyl chloride
CID 65366757
2-chloro-4-fluoro-5-(oxan-4-ylcarbamoyl)benzenesulfonyl chloride
CID 65372295
2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367352
5-amino-2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 62815067
5-amino-N-cyclopentyl-2,4-difluorobenzamide
CID 61091643
2-bromo-4-fluoro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65370283
2-bromo-5-(3,3-dimethylbutan-2-ylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 104830358
methyl 4-bromo-5-chlorosulfonyl-2-fluorobenzoate
CID 43436763
3-(cyclobutylcarbamoyl)-5-fluoro-2-methylbenzenesulfonyl chloride
CID 65397012

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride (CID 65367755) is 2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride is O=C(NC1CCCC1)c1cc(S(=O)(=O)Cl)c(Br)cc1F.
What is the InChIKey of 2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
The InChIKey is KRFVNRCHIDOWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClFNO3S/c13-9-6-10(15)8(5-11(9)20(14,18)19)12(17)16-7-3-1-2-4-7/h5-7H,1-4H2,(H,16,17).
What are the key properties of 2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride?
2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride has a molecular weight of 384.65 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 65367755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).