N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide

C22H24ClN3O4S — CID 26562647

IUPACN-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H24ClN3O4S/c23-17-6-8-19(9-7-17)26-15-18(14-21(26)27)24-22(28)16-4-10-20(11-5-16)31(29,30)25-12-2-1-3-13-25/h4-11,18H,1-3,12-15H2,(H,24,28)/t18-/m0/s1
InChIKeyOKXSIPHSFRXVIB-SFHVURJKSA-N
MW461.97 g/mol
LogP3.05
Rot. Bonds5

About N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide

N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 26562647) has the molecular formula C22H24ClN3O4S and a molecular weight of 461.97 g/mol. Its IUPAC name is N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID26562647
Molecular FormulaC22H24ClN3O4S
Molecular Weight461.97 g/mol
Exact Mass461.12
IUPAC NameN-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H24ClN3O4S/c23-17-6-8-19(9-7-17)26-15-18(14-21(26)27)24-22(28)16-4-10-20(11-5-16)31(29,30)25-12-2-1-3-13-25/h4-11,18H,1-3,12-15H2,(H,24,28)/t18-/m0/s1
InChIKeyOKXSIPHSFRXVIB-SFHVURJKSA-N
XLogP3.05
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.97
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 29034004
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 40775151
N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 40775122
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304
4-tert-butyl-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563819
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 16822307
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 7563827
(3S)-1-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 51717969
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
1-[4-(azepan-1-ylsulfonyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 42652125
(3S)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxylic acid
CID 28732907
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
CID 16822308

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide (CID 26562647) is N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide is O=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is OKXSIPHSFRXVIB-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24ClN3O4S/c23-17-6-8-19(9-7-17)26-15-18(14-21(26)27)24-22(28)16-4-10-20(11-5-16)31(29,30)25-12-2-1-3-13-25/h4-11,18H,1-3,12-15H2,(H,24,28)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide?
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 461.97 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26562647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).