2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide

C19H24ClN3O4S — CID 91183282

IUPAC2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide
SMILESO=C(CN1CCC[C@H](NS(=O)(=O)C=Cc2ccc(Cl)cc2)C1=O)N1CCCC1
InChIInChI=1S/C19H24ClN3O4S/c20-16-7-5-15(6-8-16)9-13-28(26,27)21-17-4-3-12-23(19(17)25)14-18(24)22-10-1-2-11-22/h5-9,13,17,21H,1-4,10-12,14H2/t17-/m0/s1
InChIKeyXGBSKZPIZLOLRR-KRWDZBQOSA-N
MW425.94 g/mol
LogP1.84
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide

2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide (PubChem CID 91183282) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide
PubChem CID91183282
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC Name2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide
SMILESO=C(CN1CCC[C@H](NS(=O)(=O)C=Cc2ccc(Cl)cc2)C1=O)N1CCCC1
InChIInChI=1S/C19H24ClN3O4S/c20-16-7-5-15(6-8-16)9-13-28(26,27)21-17-4-3-12-23(19(17)25)14-18(24)22-10-1-2-11-22/h5-9,13,17,21H,1-4,10-12,14H2/t17-/m0/s1
InChIKeyXGBSKZPIZLOLRR-KRWDZBQOSA-N
XLogP1.84
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]piperidine-3-carboxamide
CID 20580838
5-[3-[2-(4-chlorophenyl)ethenylsulfonylamino]-2-oxopyrrolidin-1-yl]-N-propan-2-ylpentanamide
CID 69377058
6-chloro-N-[2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]-1-benzothiophene-2-sulfonamide
CID 20581390
4-bromo-N-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]benzenesulfonamide
CID 20581126
1-(4-chlorophenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea
CID 22945861
(2S)-1-[(2S)-1-[2-[(3S)-3-[2-(5-chlorothiophen-2-yl)ethenylsulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 91076422
(E)-2-(6-chloro-3,4-dihydro-2H-thiopyran-2-yl)-N-[(3S)-1-[2-[7-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
CID 142159101
(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(2-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
CID 20580936
methyl 1-[1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 20581502
2-(5-chlorothiophen-2-yl)-N-[(3S)-1-[2-[(2S)-2-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
CID 91258591
(E)-2-(5-chlorothiophen-2-yl)-N-[1-[2-[2-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxopiperidin-3-yl]ethenesulfonamide
CID 20580959
(3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
CID 142158964

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide (CID 91183282) is 2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide is O=C(CN1CCC[C@H](NS(=O)(=O)C=Cc2ccc(Cl)cc2)C1=O)N1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide?
The InChIKey is XGBSKZPIZLOLRR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24ClN3O4S/c20-16-7-5-15(6-8-16)9-13-28(26,27)21-17-4-3-12-23(19(17)25)14-18(24)22-10-1-2-11-22/h5-9,13,17,21H,1-4,10-12,14H2/t17-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide?
2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide has a molecular weight of 425.94 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide is sourced from PubChem (CID 91183282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).