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

C11H14N2O3S — CID 105056081

IUPAC2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H14N2O3S/c1-8-4-2-3-5-10(8)17(15,16)13-9-6-11(14)12-7-9/h2-5,9,13H,6-7H2,1H3,(H,12,14)
InChIKeyZWPMJVJZJVOUCU-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.16
Rot. Bonds3

About 2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 105056081) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID105056081
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1CNC(=O)C1
InChIInChI=1S/C11H14N2O3S/c1-8-4-2-3-5-10(8)17(15,16)13-9-6-11(14)12-7-9/h2-5,9,13H,6-7H2,1H3,(H,12,14)
InChIKeyZWPMJVJZJVOUCU-UHFFFAOYSA-N
XLogP0.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 105056081) is 2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)NC1CNC(=O)C1.
What is the InChIKey of 2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is ZWPMJVJZJVOUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-8-4-2-3-5-10(8)17(15,16)13-9-6-11(14)12-7-9/h2-5,9,13H,6-7H2,1H3,(H,12,14).
What are the key properties of 2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 254.31 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 105056081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).