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

C14H17Cl2NO3S — CID 65372864

IUPAC4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride
SMILESCCN(C(=O)c1cc(S(=O)(=O)Cl)ccc1Cl)C1CCCC1
InChIInChI=1S/C14H17Cl2NO3S/c1-2-17(10-5-3-4-6-10)14(18)12-9-11(21(16,19)20)7-8-13(12)15/h7-10H,2-6H2,1H3
InChIKeyHZRRZVCFDLWQFB-UHFFFAOYSA-N
MW350.27 g/mol
LogP3.67
Rot. Bonds4

About 4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride

4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65372864) has the molecular formula C14H17Cl2NO3S and a molecular weight of 350.27 g/mol. Its IUPAC name is 4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65372864
Molecular FormulaC14H17Cl2NO3S
Molecular Weight350.27 g/mol
Exact Mass349.03
IUPAC Name4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride
SMILESCCN(C(=O)c1cc(S(=O)(=O)Cl)ccc1Cl)C1CCCC1
InChIInChI=1S/C14H17Cl2NO3S/c1-2-17(10-5-3-4-6-10)14(18)12-9-11(21(16,19)20)7-8-13(12)15/h7-10H,2-6H2,1H3
InChIKeyHZRRZVCFDLWQFB-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

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Related Compounds

2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide
CID 134060819
2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide
CID 43081835
3-chloro-5-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65373058
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 16787456
3-[butan-2-yl(ethyl)carbamoyl]-4-chlorobenzenesulfonyl chloride
CID 65370343
4-bromo-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 52696658
2-chloro-5-[cyclopropyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65372790
4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride
CID 65371129
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
CID 43540646
2-chloro-N-cyclopropyl-N-(4-ethylcyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55593828
3-chloro-4-[2-[cyclopropyl(ethyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82911090
4-chloro-3-(cyclopentylcarbamoyl)benzenesulfonyl chloride
CID 65368103

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride (CID 65372864) is 4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride is CCN(C(=O)c1cc(S(=O)(=O)Cl)ccc1Cl)C1CCCC1.
What is the InChIKey of 4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is HZRRZVCFDLWQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3S/c1-2-17(10-5-3-4-6-10)14(18)12-9-11(21(16,19)20)7-8-13(12)15/h7-10H,2-6H2,1H3.
What are the key properties of 4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride?
4-chloro-3-[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 4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65372864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).