4-methyl-N-(2-oxooxolan-3-yl)benzenesulfonamide

C11H13NO4S — CID 562831

IUPAC4-methyl-N-(2-oxooxolan-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCOC2=O)cc1
InChIInChI=1S/C11H13NO4S/c1-8-2-4-9(5-3-8)17(14,15)12-10-6-7-16-11(10)13/h2-5,10,12H,6-7H2,1H3
InChIKeyPQAYNIJKMNCUNH-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.59
Rot. Bonds3

About 4-methyl-N-(2-oxooxolan-3-yl)benzenesulfonamide

4-methyl-N-(2-oxooxolan-3-yl)benzenesulfonamide (PubChem CID 562831) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-methyl-N-(2-oxooxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxooxolan-3-yl)benzenesulfonamide
PubChem CID562831
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name4-methyl-N-(2-oxooxolan-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCOC2=O)cc1
InChIInChI=1S/C11H13NO4S/c1-8-2-4-9(5-3-8)17(14,15)12-10-6-7-16-11(10)13/h2-5,10,12H,6-7H2,1H3
InChIKeyPQAYNIJKMNCUNH-UHFFFAOYSA-N
XLogP0.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxooxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-oxooxolan-3-yl)benzenesulfonamide (CID 562831) is 4-methyl-N-(2-oxooxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-oxooxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-oxooxolan-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCOC2=O)cc1.
What is the InChIKey of 4-methyl-N-(2-oxooxolan-3-yl)benzenesulfonamide?
The InChIKey is PQAYNIJKMNCUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-8-2-4-9(5-3-8)17(14,15)12-10-6-7-16-11(10)13/h2-5,10,12H,6-7H2,1H3.
What are the key properties of 4-methyl-N-(2-oxooxolan-3-yl)benzenesulfonamide?
4-methyl-N-(2-oxooxolan-3-yl)benzenesulfonamide has a molecular weight of 255.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-oxooxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 562831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).