N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C19H22N2O3S — CID 648839

IUPACN-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1cccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H22N2O3S/c1-16-8-7-9-17(14-16)21(15-19(22)20-12-5-6-13-20)25(23,24)18-10-3-2-4-11-18/h2-4,7-11,14H,5-6,12-13,15H2,1H3
InChIKeyWXXGZUSQSLTBCH-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.81
Rot. Bonds5

About N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 648839) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID648839
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1cccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H22N2O3S/c1-16-8-7-9-17(14-16)21(15-19(22)20-12-5-6-13-20)25(23,24)18-10-3-2-4-11-18/h2-4,7-11,14H,5-6,12-13,15H2,1H3
InChIKeyWXXGZUSQSLTBCH-UHFFFAOYSA-N
XLogP2.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 648839) is N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is Cc1cccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is WXXGZUSQSLTBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-16-8-7-9-17(14-16)21(15-19(22)20-12-5-6-13-20)25(23,24)18-10-3-2-4-11-18/h2-4,7-11,14H,5-6,12-13,15H2,1H3.
What are the key properties of N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 648839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).