3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride

C14H17Cl2NO3S — CID 65373058

IUPAC3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride
SMILESCCN(C(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1)C1CCCC1
InChIInChI=1S/C14H17Cl2NO3S/c1-2-17(12-5-3-4-6-12)14(18)10-7-11(15)9-13(8-10)21(16,19)20/h7-9,12H,2-6H2,1H3
InChIKeyFNVBNPZJFLERDT-UHFFFAOYSA-N
MW350.27 g/mol
LogP3.67
Rot. Bonds4

About 3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride

3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65373058) has the molecular formula C14H17Cl2NO3S and a molecular weight of 350.27 g/mol. Its IUPAC name is 3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65373058
Molecular FormulaC14H17Cl2NO3S
Molecular Weight350.27 g/mol
Exact Mass349.03
IUPAC Name3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride
SMILESCCN(C(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1)C1CCCC1
InChIInChI=1S/C14H17Cl2NO3S/c1-2-17(12-5-3-4-6-12)14(18)10-7-11(15)9-13(8-10)21(16,19)20/h7-9,12H,2-6H2,1H3
InChIKeyFNVBNPZJFLERDT-UHFFFAOYSA-N
XLogP3.67
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-[cyclopentyl(ethyl)carbamoyl]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

4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65372864
3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 60806736
3-chloro-N-cyclopentyl-N-methyl-5-sulfamoylbenzamide
CID 65388124
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 63391832
3-chloro-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400421
3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide
CID 63391653
2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65372790
2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide
CID 134060819
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
CID 80658625
4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide
CID 81324250
3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65396840

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride (CID 65373058) is 3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride is CCN(C(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1)C1CCCC1.
What is the InChIKey of 3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is FNVBNPZJFLERDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3S/c1-2-17(12-5-3-4-6-12)14(18)10-7-11(15)9-13(8-10)21(16,19)20/h7-9,12H,2-6H2,1H3.
What are the key properties of 3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride?
3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 350.27 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65373058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).