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

C20H24N2O3S — CID 8822486

IUPACN-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-2-3-5-16-7-9-17(10-8-16)21-26(24,25)19-13-11-18(12-14-19)22-15-4-6-20(22)23/h7-14,21H,2-6,15H2,1H3
InChIKeyCZTYAOUXSOQARP-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.96
Rot. Bonds7

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

N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 8822486) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID8822486
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-2-3-5-16-7-9-17(10-8-16)21-26(24,25)19-13-11-18(12-14-19)22-15-4-6-20(22)23/h7-14,21H,2-6,15H2,1H3
InChIKeyCZTYAOUXSOQARP-UHFFFAOYSA-N
XLogP3.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823223
N-(4-butylphenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
CID 7527025
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636091
N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide
CID 3812810
N-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzamide
CID 26781606
N,N-dimethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 24580878
N-naphthalen-1-yl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzenesulfonamide
CID 99955062
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
N-[2-(4-aminophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide;hydrochloride
CID 120715724

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 8822486) is N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CCCCc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is CZTYAOUXSOQARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-3-5-16-7-9-17(10-8-16)21-26(24,25)19-13-11-18(12-14-19)22-15-4-6-20(22)23/h7-14,21H,2-6,15H2,1H3.
What are the key properties of N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 8822486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).