3-chloro-6-[(E)-2-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethenyl]-1H-pyridin-2-one

C23H28ClN3O3S — CID 58452779

IUPAC3-chloro-6-[(E)-2-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethenyl]-1H-pyridin-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc(/C(=C\C3CCCC3)c3ccc(Cl)c(=O)[nH]3)cc2)CC1
InChIInChI=1S/C23H28ClN3O3S/c1-26-12-14-27(15-13-26)31(29,30)19-8-6-18(7-9-19)20(16-17-4-2-3-5-17)22-11-10-21(24)23(28)25-22/h6-11,16-17H,2-5,12-15H2,1H3,(H,25,28)/b20-16+
InChIKeyFIIOSWNLJDBPRB-CAPFRKAQSA-N
MW462.02 g/mol
LogP3.59
Rot. Bonds5

About 3-chloro-6-[(E)-2-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethenyl]-1H-pyridin-2-one

3-chloro-6-[(E)-2-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethenyl]-1H-pyridin-2-one (PubChem CID 58452779) has the molecular formula C23H28ClN3O3S and a molecular weight of 462.02 g/mol. Its IUPAC name is 3-chloro-6-[(E)-2-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-[(E)-2-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethenyl]-1H-pyridin-2-one
PubChem CID58452779
Molecular FormulaC23H28ClN3O3S
Molecular Weight462.02 g/mol
Exact Mass461.15
IUPAC Name3-chloro-6-[(E)-2-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethenyl]-1H-pyridin-2-one
SMILESCN1CCN(S(=O)(=O)c2ccc(/C(=C\C3CCCC3)c3ccc(Cl)c(=O)[nH]3)cc2)CC1
InChIInChI=1S/C23H28ClN3O3S/c1-26-12-14-27(15-13-26)31(29,30)19-8-6-18(7-9-19)20(16-17-4-2-3-5-17)22-11-10-21(24)23(28)25-22/h6-11,16-17H,2-5,12-15H2,1H3,(H,25,28)/b20-16+
InChIKeyFIIOSWNLJDBPRB-CAPFRKAQSA-N
XLogP3.59
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.02
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(E)-2-cyclopentyl-1-(4-cyclopropylsulfonylphenyl)ethenyl]-3-(hydroxymethyl)-1H-pyridin-2-one
CID 58452815
3-chloro-6-[(E)-1-(4-cyclopropylsulfonylphenyl)-3-(2-oxopyrrolidin-1-yl)prop-1-enyl]-1H-pyridin-2-one
CID 58452681
4-[2-cyclopentyl-1-(5-methyl-6-oxo-1H-pyridin-2-yl)ethenyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 67398996
6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67399724
6-[(E)-1-(4-tert-butylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-chloro-1H-pyridin-2-one
CID 58452370
6-[(E)-1-(4-tert-butylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-3-chloro-1H-pyridin-2-one
CID 58452252
3-cyclopropyl-6-[(Z)-1-(4-methylsulfonylphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-1H-pyridin-2-one
CID 67399450
3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyridin-2-one
CID 67398924
2-chloro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012946
6-[1-(4-cyclopropylsulfonylphenyl)-2-[(1S)-3-oxocyclopentyl]ethenyl]-3-ethyl-1H-pyridin-2-one
CID 67399288
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
N'-hydroxy-4-(4-methylpiperazin-1-yl)sulfonylbenzenecarboximidamide
CID 46951796

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(E)-2-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-6-[(E)-2-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethenyl]-1H-pyridin-2-one (CID 58452779) is 3-chloro-6-[(E)-2-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-6-[(E)-2-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-6-[(E)-2-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethenyl]-1H-pyridin-2-one is CN1CCN(S(=O)(=O)c2ccc(/C(=C\C3CCCC3)c3ccc(Cl)c(=O)[nH]3)cc2)CC1.
What is the InChIKey of 3-chloro-6-[(E)-2-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethenyl]-1H-pyridin-2-one?
The InChIKey is FIIOSWNLJDBPRB-CAPFRKAQSA-N. The full InChI is InChI=1S/C23H28ClN3O3S/c1-26-12-14-27(15-13-26)31(29,30)19-8-6-18(7-9-19)20(16-17-4-2-3-5-17)22-11-10-21(24)23(28)25-22/h6-11,16-17H,2-5,12-15H2,1H3,(H,25,28)/b20-16+.
What are the key properties of 3-chloro-6-[(E)-2-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethenyl]-1H-pyridin-2-one?
3-chloro-6-[(E)-2-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethenyl]-1H-pyridin-2-one has a molecular weight of 462.02 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(E)-2-cyclopentyl-1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 58452779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).