1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide

C20H22ClNO3S — CID 24595897

IUPAC1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C20H22ClNO3S/c1-15(16-8-7-9-17(21)14-16)22-19(23)20(12-5-6-13-20)26(24,25)18-10-3-2-4-11-18/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,22,23)
InChIKeyYOCOISZNOYCOSZ-UHFFFAOYSA-N
MW391.92 g/mol
LogP4.30
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide

1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide (PubChem CID 24595897) has the molecular formula C20H22ClNO3S and a molecular weight of 391.92 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide
PubChem CID24595897
Molecular FormulaC20H22ClNO3S
Molecular Weight391.92 g/mol
Exact Mass391.10
IUPAC Name1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1)c1cccc(Cl)c1
InChIInChI=1S/C20H22ClNO3S/c1-15(16-8-7-9-17(21)14-16)22-19(23)20(12-5-6-13-20)26(24,25)18-10-3-2-4-11-18/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,22,23)
InChIKeyYOCOISZNOYCOSZ-UHFFFAOYSA-N
XLogP4.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 113313018
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 46541078
N-[1-(3-chlorophenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980234
N-[1-(1-adamantyl)ethyl]-1-(benzenesulfonyl)cyclopentane-1-carboxamide
CID 16591786
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 115295227
2-(1-aminocyclopentyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 64677551
1-[1-[3-(methylsulfamoyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 146136068
1-N-(3-chlorophenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975424
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913
1-(benzenesulfonyl)-N-phenylcyclopentane-1-carboxamide
CID 17438426
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81372776
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide (CID 24595897) is 1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide is CC(NC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is YOCOISZNOYCOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3S/c1-15(16-8-7-9-17(21)14-16)22-19(23)20(12-5-6-13-20)26(24,25)18-10-3-2-4-11-18/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,22,23).
What are the key properties of 1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide?
1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 391.92 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[1-(3-chlorophenyl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 24595897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).