2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide

C14H16ClN3O3S — CID 60539815

IUPAC2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide
SMILESN#Cc1ccc(S(=O)(=O)N(CC(N)=O)C2CCCC2)cc1Cl
InChIInChI=1S/C14H16ClN3O3S/c15-13-7-12(6-5-10(13)8-16)22(20,21)18(9-14(17)19)11-3-1-2-4-11/h5-7,11H,1-4,9H2,(H2,17,19)
InChIKeyQREKFXSUWQXPGN-UHFFFAOYSA-N
MW341.82 g/mol
LogP1.63
Rot. Bonds5

About 2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide

2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide (PubChem CID 60539815) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is 2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide
PubChem CID60539815
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide
SMILESN#Cc1ccc(S(=O)(=O)N(CC(N)=O)C2CCCC2)cc1Cl
InChIInChI=1S/C14H16ClN3O3S/c15-13-7-12(6-5-10(13)8-16)22(20,21)18(9-14(17)19)11-3-1-2-4-11/h5-7,11H,1-4,9H2,(H2,17,19)
InChIKeyQREKFXSUWQXPGN-UHFFFAOYSA-N
XLogP1.63
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide
CID 64606928
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1167474
3-chloro-4-cyano-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102632222
2-[(2-amino-5-chlorophenyl)sulfonyl-cyclopentylamino]acetamide
CID 61108815
N-(azepan-4-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide
CID 107173032
2-[(3-chloro-4-cyanophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 115582147
2-[(3-chlorophenyl)sulfonyl-piperidin-4-ylamino]acetamide
CID 60801411
N-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide
CID 113370449
3-chloro-4-cyano-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113356116
2-chloro-4-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide
CID 102862562
5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675845
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 2240865

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide?
The IUPAC name of 2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide (CID 60539815) is 2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide is N#Cc1ccc(S(=O)(=O)N(CC(N)=O)C2CCCC2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide?
The InChIKey is QREKFXSUWQXPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c15-13-7-12(6-5-10(13)8-16)22(20,21)18(9-14(17)19)11-3-1-2-4-11/h5-7,11H,1-4,9H2,(H2,17,19).
What are the key properties of 2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide?
2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide has a molecular weight of 341.82 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-cyanophenyl)sulfonyl-cyclopentylamino]acetamide is sourced from PubChem (CID 60539815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).