5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide

C25H32ClNO3S — CID 161066951

IUPAC5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide
SMILESC[C@@H](C[C@H]1CC[C@@H](c2ccc(CC(=O)CCCS(N)(=O)=O)cc2)C1)c1cccc(Cl)c1
InChIInChI=1S/C25H32ClNO3S/c1-18(22-4-2-5-24(26)17-22)14-20-9-12-23(15-20)21-10-7-19(8-11-21)16-25(28)6-3-13-31(27,29)30/h2,4-5,7-8,10-11,17-18,20,23H,3,6,9,12-16H2,1H3,(H2,27,29,30)/t18-,20+,23+/m0/s1
InChIKeyUEDOPJDTROJVII-JXHRLWIKSA-N
MW462.06 g/mol
LogP5.60
Rot. Bonds10

About 5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide

5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide (PubChem CID 161066951) has the molecular formula C25H32ClNO3S and a molecular weight of 462.06 g/mol. Its IUPAC name is 5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide.

Molecular Properties

Compound Name5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide
PubChem CID161066951
Molecular FormulaC25H32ClNO3S
Molecular Weight462.06 g/mol
Exact Mass461.18
IUPAC Name5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide
SMILESC[C@@H](C[C@H]1CC[C@@H](c2ccc(CC(=O)CCCS(N)(=O)=O)cc2)C1)c1cccc(Cl)c1
InChIInChI=1S/C25H32ClNO3S/c1-18(22-4-2-5-24(26)17-22)14-20-9-12-23(15-20)21-10-7-19(8-11-21)16-25(28)6-3-13-31(27,29)30/h2,4-5,7-8,10-11,17-18,20,23H,3,6,9,12-16H2,1H3,(H2,27,29,30)/t18-,20+,23+/m0/s1
InChIKeyUEDOPJDTROJVII-JXHRLWIKSA-N
XLogP5.60
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.06
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide with MolForge

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Related Compounds

1-[4-[(1S)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]benzoyl]piperidin-3-one
CID 147635890
[4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol
CID 153141221
2-chloro-1-fluoro-4-[(2S)-1-[(3R)-3-(4-methylsulfonylphenyl)cyclopentyl]propan-2-yl]benzene
CID 159651416
1-(3-chlorophenyl)-7-propan-2-ylsulfonylheptan-2-one
CID 58144407
1-(3-chlorophenyl)-5-methylsulfonylpentan-2-one
CID 63192015
1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79978825
4-[3-[1-(3-chlorophenyl)ethylamino]cyclopentyl]-N-[(E)-2-(hydrazinesulfonyl)ethenyl]benzamide
CID 90750407
[1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 96510197
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698353
4-[(1S)-3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]cyclopentyl]-N-(cyanomethyl)benzamide
CID 90261013
2-[4-[3-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentyl]phenoxy]acetic acid
CID 18784166
(2R)-2-[4-[3-[[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]methyl]cyclopentyl]phenoxy]butanoic acid;hydrochloride
CID 139788504

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide?
The IUPAC name of 5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide (CID 161066951) is 5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide.
What is the SMILES notation for 5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide?
The canonical SMILES for 5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide is C[C@@H](C[C@H]1CC[C@@H](c2ccc(CC(=O)CCCS(N)(=O)=O)cc2)C1)c1cccc(Cl)c1.
What is the InChIKey of 5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide?
The InChIKey is UEDOPJDTROJVII-JXHRLWIKSA-N. The full InChI is InChI=1S/C25H32ClNO3S/c1-18(22-4-2-5-24(26)17-22)14-20-9-12-23(15-20)21-10-7-19(8-11-21)16-25(28)6-3-13-31(27,29)30/h2,4-5,7-8,10-11,17-18,20,23H,3,6,9,12-16H2,1H3,(H2,27,29,30)/t18-,20+,23+/m0/s1.
What are the key properties of 5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide?
5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide has a molecular weight of 462.06 g/mol, XLogP of 5.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1R,3R)-3-[(2S)-2-(3-chlorophenyl)propyl]cyclopentyl]phenyl]-4-oxopentane-1-sulfonamide is sourced from PubChem (CID 161066951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).