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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Related Compounds

N-[4-(4-Acetylpiperazin-1-Yl)-2-Fluorobenzyl]-N-Cyclobutylbenzenesulfonamide
CID 86346644
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 999998
N-{4-[(3-methylphenyl)sulfamoyl]phenyl}acetamide
CID 720108
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
N-(2,5-Dimethyl-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 846479
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 846944
N-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 989253
N-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-N-m-tolyl-methanesulfonamide
CID 1076842
N-(3,5-Dimethyl-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 1076850

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).