2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide

C15H20ClNO3S — CID 134060819

IUPAC2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide
SMILESCCN(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)C1CCCC1
InChIInChI=1S/C15H20ClNO3S/c1-3-17(11-6-4-5-7-11)15(18)13-10-12(21(2,19)20)8-9-14(13)16/h8-11H,3-7H2,1-2H3
InChIKeyJGDWBUAYTVMFKU-UHFFFAOYSA-N
MW329.85 g/mol
LogP3.15
Rot. Bonds4

About 2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide

2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide (PubChem CID 134060819) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide
PubChem CID134060819
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide
SMILESCCN(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)C1CCCC1
InChIInChI=1S/C15H20ClNO3S/c1-3-17(11-6-4-5-7-11)15(18)13-10-12(21(2,19)20)8-9-14(13)16/h8-11H,3-7H2,1-2H3
InChIKeyJGDWBUAYTVMFKU-UHFFFAOYSA-N
XLogP3.15
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-bromo-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 52696658
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
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2-chloro-N-cyclopropyl-N-(4-ethylcyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide
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3-chloro-N-cyclohexyl-N-ethylpyridine-4-carboxamide
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2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide (CID 134060819) is 2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide is CCN(C(=O)c1cc(S(C)(=O)=O)ccc1Cl)C1CCCC1.
What is the InChIKey of 2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide?
The InChIKey is JGDWBUAYTVMFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-3-17(11-6-4-5-7-11)15(18)13-10-12(21(2,19)20)8-9-14(13)16/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide?
2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide has a molecular weight of 329.85 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 134060819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).