N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C17H18N2O5S2 — CID 8823223

IUPACN-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C17H18N2O5S2/c1-25(21,22)15-8-4-13(5-9-15)18-26(23,24)16-10-6-14(7-11-16)19-12-2-3-17(19)20/h4-11,18H,2-3,12H2,1H3
InChIKeyPOZKNQBWEGSFJH-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.02
Rot. Bonds5

About N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 8823223) has the molecular formula C17H18N2O5S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID8823223
Molecular FormulaC17H18N2O5S2
Molecular Weight394.47 g/mol
Exact Mass394.07
IUPAC NameN-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C17H18N2O5S2/c1-25(21,22)15-8-4-13(5-9-15)18-26(23,24)16-10-6-14(7-11-16)19-12-2-3-17(19)20/h4-11,18H,2-3,12H2,1H3
InChIKeyPOZKNQBWEGSFJH-UHFFFAOYSA-N
XLogP2.02
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
N-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzamide
CID 26781606
N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636091
N,N-dimethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 24580878
N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822486
N-(3,4-dichlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614231
4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656653
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92676052
N-naphthalen-1-yl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzenesulfonamide
CID 99955062
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 99957298
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 60912388

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 8823223) is N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is POZKNQBWEGSFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S2/c1-25(21,22)15-8-4-13(5-9-15)18-26(23,24)16-10-6-14(7-11-16)19-12-2-3-17(19)20/h4-11,18H,2-3,12H2,1H3.
What are the key properties of N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 394.47 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 8823223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).