2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride

C12H12BrCl2NO3S — CID 81294951

IUPAC2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NC1CCCC1)c1cc(Cl)c(Br)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H12BrCl2NO3S/c13-11-9(14)5-7(6-10(11)20(15,18)19)12(17)16-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,16,17)
InChIKeyZODBYLUKDLJUQS-UHFFFAOYSA-N
MW401.11 g/mol
LogP3.70
Rot. Bonds3

About 2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride

2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride (PubChem CID 81294951) has the molecular formula C12H12BrCl2NO3S and a molecular weight of 401.11 g/mol. Its IUPAC name is 2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride
PubChem CID81294951
Molecular FormulaC12H12BrCl2NO3S
Molecular Weight401.11 g/mol
Exact Mass398.91
IUPAC Name2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NC1CCCC1)c1cc(Cl)c(Br)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C12H12BrCl2NO3S/c13-11-9(14)5-7(6-10(11)20(15,18)19)12(17)16-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,16,17)
InChIKeyZODBYLUKDLJUQS-UHFFFAOYSA-N
XLogP3.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.11
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-5-(cyclopropylcarbamoyl)benzenesulfonyl chloride
CID 65368290
3,4-dichloro-N-cyclopentyl-5-sulfamoylbenzamide
CID 65375967
5-(cyclohexylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
CID 65367157
2-bromo-3-(cyclopentylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65367953
2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367352
2-chloro-5-(cyclobutylcarbamoyl)-3-nitrobenzenesulfonyl chloride
CID 65398164
5-(cyclopropylcarbamoyl)-2,3-dimethylbenzenesulfonyl chloride
CID 65367549
4-bromo-3-chloro-N-cyclohexylbenzamide
CID 81295345
5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 65367205
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
4-chloro-N-cyclohexyl-3-methylsulfonylbenzamide
CID 17456227

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride (CID 81294951) is 2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride is O=C(NC1CCCC1)c1cc(Cl)c(Br)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is ZODBYLUKDLJUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrCl2NO3S/c13-11-9(14)5-7(6-10(11)20(15,18)19)12(17)16-8-3-1-2-4-8/h5-6,8H,1-4H2,(H,16,17).
What are the key properties of 2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride?
2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 401.11 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-5-(cyclopentylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 81294951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).