3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

C17H18N2O3S — CID 7635918

IUPAC3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C17H18N2O3S/c1-13-5-2-8-16(11-13)23(21,22)18-14-6-3-7-15(12-14)19-10-4-9-17(19)20/h2-3,5-8,11-12,18H,4,9-10H2,1H3
InChIKeyARLCLMSCIDKTRO-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.92
Rot. Bonds4

About 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 7635918) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
PubChem CID7635918
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C17H18N2O3S/c1-13-5-2-8-16(11-13)23(21,22)18-14-6-3-7-15(12-14)19-10-4-9-17(19)20/h2-3,5-8,11-12,18H,4,9-10H2,1H3
InChIKeyARLCLMSCIDKTRO-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7635947
4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 49187272
N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7636293
3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 8841908
dimethyl 5-[[3-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate
CID 26268468
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8841856
4-chloro-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635926
4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636285
4-methoxy-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635954
4-methoxy-N-(3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284103
2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841870

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (CID 7635918) is 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1.
What is the InChIKey of 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is ARLCLMSCIDKTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-13-5-2-8-16(11-13)23(21,22)18-14-6-3-7-15(12-14)19-10-4-9-17(19)20/h2-3,5-8,11-12,18H,4,9-10H2,1H3.
What are the key properties of 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7635918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).