4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride

C12H13Cl2NO3S — CID 65368103

IUPAC4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NC1CCCC1)c1cc(S(=O)(=O)Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2NO3S/c13-11-6-5-9(19(14,17)18)7-10(11)12(16)15-8-3-1-2-4-8/h5-8H,1-4H2,(H,15,16)
InChIKeyZLGRUESHZKYSSH-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.94
Rot. Bonds3

About 4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride

4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65368103) has the molecular formula C12H13Cl2NO3S and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
PubChem CID65368103
Molecular FormulaC12H13Cl2NO3S
Molecular Weight322.21 g/mol
Exact Mass321.00
IUPAC Name4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
SMILESO=C(NC1CCCC1)c1cc(S(=O)(=O)Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2NO3S/c13-11-6-5-9(19(14,17)18)7-10(11)12(16)15-8-3-1-2-4-8/h5-8H,1-4H2,(H,15,16)
InChIKeyZLGRUESHZKYSSH-UHFFFAOYSA-N
XLogP2.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-cyclopentyl-5-(methylsulfamoyl)benzamide
CID 9214313
2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
2-chloro-N-cyclohexyl-5-(propan-2-ylsulfamoyl)benzamide
CID 51160947
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide
CID 43016627
2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367352
4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride
CID 65371129
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27537411
2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 78767649
2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide
CID 104599733

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride (CID 65368103) is 4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride is O=C(NC1CCCC1)c1cc(S(=O)(=O)Cl)ccc1Cl.
What is the InChIKey of 4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is ZLGRUESHZKYSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3S/c13-11-6-5-9(19(14,17)18)7-10(11)12(16)15-8-3-1-2-4-8/h5-8H,1-4H2,(H,15,16).
What are the key properties of 4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride?
4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 322.21 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65368103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).