4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C23H21N3O4S — CID 28578210

IUPAC4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O4S/c27-22-7-4-16-26(22)20-14-12-18(13-15-20)24-23(28)17-8-10-19(11-9-17)25-31(29,30)21-5-2-1-3-6-21/h1-3,5-6,8-15,25H,4,7,16H2,(H,24,28)
InChIKeyHLDMKABCULLESK-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.87
Rot. Bonds6

About 4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 28578210) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID28578210
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O4S/c27-22-7-4-16-26(22)20-14-12-18(13-15-20)24-23(28)17-8-10-19(11-9-17)25-31(29,30)21-5-2-1-3-6-21/h1-3,5-6,8-15,25H,4,7,16H2,(H,24,28)
InChIKeyHLDMKABCULLESK-UHFFFAOYSA-N
XLogP3.87
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636091
N-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzamide
CID 26781606
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656653
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 4570058
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
N,N-dimethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 24580878
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951
3-(tert-butylsulfamoyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 8747935
4-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 92685963

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 28578210) is 4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is HLDMKABCULLESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c27-22-7-4-16-26(22)20-14-12-18(13-15-20)24-23(28)17-8-10-19(11-9-17)25-31(29,30)21-5-2-1-3-6-21/h1-3,5-6,8-15,25H,4,7,16H2,(H,24,28).
What are the key properties of 4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 435.51 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 28578210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).