N-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

C20H24N2O3S — CID 1008120

IUPACN-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-4-9-18(10-5-16)21-26(24,25)19-11-6-17(7-12-19)8-13-20(23)22-14-2-3-15-22/h4-7,9-12,21H,2-3,8,13-15H2,1H3
InChIKeyXOSHPIYXLPJHON-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.35
Rot. Bonds6

About N-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide

N-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (PubChem CID 1008120) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
PubChem CID1008120
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-4-9-18(10-5-16)21-26(24,25)19-11-6-17(7-12-19)8-13-20(23)22-14-2-3-15-22/h4-7,9-12,21H,2-3,8,13-15H2,1H3
InChIKeyXOSHPIYXLPJHON-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide (CID 1008120) is N-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is XOSHPIYXLPJHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-4-9-18(10-5-16)21-26(24,25)19-11-6-17(7-12-19)8-13-20(23)22-14-2-3-15-22/h4-7,9-12,21H,2-3,8,13-15H2,1H3.
What are the key properties of N-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide?
N-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 1008120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).