3,4-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

C12H16N2O3S — CID 71789126

IUPAC3,4-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CNC(=O)C2)cc1C
InChIInChI=1S/C12H16N2O3S/c1-8-3-4-11(5-9(8)2)18(16,17)14-10-6-12(15)13-7-10/h3-5,10,14H,6-7H2,1-2H3,(H,13,15)
InChIKeyFHYALZWOWJHRJC-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.47
Rot. Bonds3

About 3,4-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

3,4-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 71789126) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3,4-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID71789126
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name3,4-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CNC(=O)C2)cc1C
InChIInChI=1S/C12H16N2O3S/c1-8-3-4-11(5-9(8)2)18(16,17)14-10-6-12(15)13-7-10/h3-5,10,14H,6-7H2,1-2H3,(H,13,15)
InChIKeyFHYALZWOWJHRJC-UHFFFAOYSA-N
XLogP0.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 71789126) is 3,4-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CNC(=O)C2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is FHYALZWOWJHRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-8-3-4-11(5-9(8)2)18(16,17)14-10-6-12(15)13-7-10/h3-5,10,14H,6-7H2,1-2H3,(H,13,15).
What are the key properties of 3,4-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
3,4-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 71789126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).