2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C24H22ClN3O4S — CID 92673763

IUPAC2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H22ClN3O4S/c25-18-8-12-21(13-9-18)28(33(31,32)22-5-2-1-3-6-22)17-23(29)26-19-10-14-20(15-11-19)27-16-4-7-24(27)30/h1-3,5-6,8-15H,4,7,16-17H2,(H,26,29)
InChIKeyBVWNPDWEUAEDAS-UHFFFAOYSA-N
MW483.98 g/mol
LogP4.30
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 92673763) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID92673763
Molecular FormulaC24H22ClN3O4S
Molecular Weight483.98 g/mol
Exact Mass483.10
IUPAC Name2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H22ClN3O4S/c25-18-8-12-21(13-9-18)28(33(31,32)22-5-2-1-3-6-22)17-23(29)26-19-10-14-20(15-11-19)27-16-4-7-24(27)30/h1-3,5-6,8-15H,4,7,16-17H2,(H,26,29)
InChIKeyBVWNPDWEUAEDAS-UHFFFAOYSA-N
XLogP4.30
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30306516
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30305116
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30275389
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 43916333
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-phenylacetamide
CID 1475349
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510855
2-(4-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-phenylacetamide
CID 1472193
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30206728
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 43892764
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30205833
2-(N-(3-methylphenyl)sulfonylanilino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34062206
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 92675395

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 92673763) is 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is BVWNPDWEUAEDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4S/c25-18-8-12-21(13-9-18)28(33(31,32)22-5-2-1-3-6-22)17-23(29)26-19-10-14-20(15-11-19)27-16-4-7-24(27)30/h1-3,5-6,8-15H,4,7,16-17H2,(H,26,29).
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 483.98 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 92673763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).