N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide

C11H14N2O3S — CID 110736572

IUPACN-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCN1CC(NS(=O)(=O)c2ccccc2)CC1=O
InChIInChI=1S/C11H14N2O3S/c1-13-8-9(7-11(13)14)12-17(15,16)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyWTCSSLQZKOLXBR-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.20
Rot. Bonds3

About N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide

N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 110736572) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID110736572
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCN1CC(NS(=O)(=O)c2ccccc2)CC1=O
InChIInChI=1S/C11H14N2O3S/c1-13-8-9(7-11(13)14)12-17(15,16)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyWTCSSLQZKOLXBR-UHFFFAOYSA-N
XLogP0.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 94798825
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564660
1,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pyrazole-4-sulfonamide
CID 131936491
4-methoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 7564467
N-(1-methyl-5-oxopyrrolidin-3-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110736605
4-(2,3-dimethoxyphenyl)-3-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 171386854
4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64670246
N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 131898317
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
N-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyridine-3-sulfonamide
CID 126835110
N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736486
2-methoxy-4,5-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110736595

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 110736572) is N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide is CN1CC(NS(=O)(=O)c2ccccc2)CC1=O.
What is the InChIKey of N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is WTCSSLQZKOLXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-13-8-9(7-11(13)14)12-17(15,16)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3.
What are the key properties of N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide?
N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 110736572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).