3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

C18H20N2O3S — CID 8841739

IUPAC3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1C
InChIInChI=1S/C18H20N2O3S/c1-13-9-10-15(12-14(13)2)24(22,23)19-16-6-3-4-7-17(16)20-11-5-8-18(20)21/h3-4,6-7,9-10,12,19H,5,8,11H2,1-2H3
InChIKeyIUUHSBUUCVCJQR-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.23
Rot. Bonds4

About 3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 8841739) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
PubChem CID8841739
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1C
InChIInChI=1S/C18H20N2O3S/c1-13-9-10-15(12-14(13)2)24(22,23)19-16-6-3-4-7-17(16)20-11-5-8-18(20)21/h3-4,6-7,9-10,12,19H,5,8,11H2,1-2H3
InChIKeyIUUHSBUUCVCJQR-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 25358999
3-methyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92671612
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 8841812
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99954159
N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 60675578
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 38009918
2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841824
2-methyl-5-methylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18166587
3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide
CID 31046790
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7636383
4-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 8823611
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (CID 8841739) is 3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is IUUHSBUUCVCJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-9-10-15(12-14(13)2)24(22,23)19-16-6-3-4-7-17(16)20-11-5-8-18(20)21/h3-4,6-7,9-10,12,19H,5,8,11H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 8841739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).