1-(4-chlorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide

C23H26ClN3O4S — CID 46451517

IUPAC1-(4-chlorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(N2CCCC2=O)c1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H26ClN3O4S/c24-19-8-10-21(11-9-19)32(30,31)26-12-2-5-18(16-26)23(29)25-15-17-4-1-6-20(14-17)27-13-3-7-22(27)28/h1,4,6,8-11,14,18H,2-3,5,7,12-13,15-16H2,(H,25,29)
InChIKeyBOYDUUFMGHJWLD-UHFFFAOYSA-N
MW476.00 g/mol
LogP3.18
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 46451517) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID46451517
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(N2CCCC2=O)c1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H26ClN3O4S/c24-19-8-10-21(11-9-19)32(30,31)26-12-2-5-18(16-26)23(29)25-15-17-4-1-6-20(14-17)27-13-3-7-22(27)28/h1,4,6,8-11,14,18H,2-3,5,7,12-13,15-16H2,(H,25,29)
InChIKeyBOYDUUFMGHJWLD-UHFFFAOYSA-N
XLogP3.18
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(benzenesulfonyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 39002041
1-(4-chlorophenyl)sulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 24626125
(3S)-1-ethylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 95196197
(3R)-1-methyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 95904457
(3R)-1-(4-chlorophenyl)sulfonyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 39165993
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 35617033
1-(2-fluorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 39515806
1-(4-chlorophenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874836
(3S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 41024969
(3S)-1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 38802258
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 28549718
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 133189420

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide (CID 46451517) is 1-(4-chlorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1cccc(N2CCCC2=O)c1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is BOYDUUFMGHJWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c24-19-8-10-21(11-9-19)32(30,31)26-12-2-5-18(16-26)23(29)25-15-17-4-1-6-20(14-17)27-13-3-7-22(27)28/h1,4,6,8-11,14,18H,2-3,5,7,12-13,15-16H2,(H,25,29).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 476.00 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 46451517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).