1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide

C20H21ClF3N3O3S — CID 55970560

IUPAC1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide
SMILESO=C(NCCNc1ncccc1C(F)(F)F)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H21ClF3N3O3S/c21-14-5-7-15(8-6-14)31(29,30)19(9-1-2-10-19)18(28)27-13-12-26-17-16(20(22,23)24)4-3-11-25-17/h3-8,11H,1-2,9-10,12-13H2,(H,25,26)(H,27,28)
InChIKeyLDATVFMVERPLJJ-UHFFFAOYSA-N
MW475.92 g/mol
LogP4.07
Rot. Bonds7

About 1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide (PubChem CID 55970560) has the molecular formula C20H21ClF3N3O3S and a molecular weight of 475.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide
PubChem CID55970560
Molecular FormulaC20H21ClF3N3O3S
Molecular Weight475.92 g/mol
Exact Mass475.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide
SMILESO=C(NCCNc1ncccc1C(F)(F)F)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C20H21ClF3N3O3S/c21-14-5-7-15(8-6-14)31(29,30)19(9-1-2-10-19)18(28)27-13-12-26-17-16(20(22,23)24)4-3-11-25-17/h3-8,11H,1-2,9-10,12-13H2,(H,25,26)(H,27,28)
InChIKeyLDATVFMVERPLJJ-UHFFFAOYSA-N
XLogP4.07
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.92
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 78840798
1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 15989037
1-(4-chlorophenyl)sulfonyl-N-[3-(methylamino)propyl]cyclopentane-1-carboxamide
CID 119430175
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 37484665
1-(4-chlorophenyl)sulfonyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 37393006
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119626480
1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 37486545
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
1-(4-chlorophenyl)sulfonyl-N-[2-(3-methoxyphenoxy)ethyl]cyclopentane-1-carboxamide
CID 46399799
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55933255
3-[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]amino]-2-methylpropanoic acid
CID 119237490
1-(4-chlorophenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 55634206

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide (CID 55970560) is 1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide is O=C(NCCNc1ncccc1C(F)(F)F)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide?
The InChIKey is LDATVFMVERPLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O3S/c21-14-5-7-15(8-6-14)31(29,30)19(9-1-2-10-19)18(28)27-13-12-26-17-16(20(22,23)24)4-3-11-25-17/h3-8,11H,1-2,9-10,12-13H2,(H,25,26)(H,27,28).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide has a molecular weight of 475.92 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55970560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).