4-methyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide

C18H13NO4S2 — CID 2058936

IUPAC4-methyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1
InChIInChI=1S/C18H13NO4S2/c1-11-6-8-12(9-7-11)25(21,22)19-15-10-16-17(23-18(20)24-16)14-5-3-2-4-13(14)15/h2-10,19H,1H3
InChIKeySAFFQXIHUBKGDX-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.12
Rot. Bonds3

About 4-methyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide

4-methyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide (PubChem CID 2058936) has the molecular formula C18H13NO4S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-methyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide
PubChem CID2058936
Molecular FormulaC18H13NO4S2
Molecular Weight371.44 g/mol
Exact Mass371.03
IUPAC Name4-methyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1
InChIInChI=1S/C18H13NO4S2/c1-11-6-8-12(9-7-11)25(21,22)19-15-10-16-17(23-18(20)24-16)14-5-3-2-4-13(14)15/h2-10,19H,1H3
InChIKeySAFFQXIHUBKGDX-UHFFFAOYSA-N
XLogP4.12
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_carbonate_A(15)', 'substructure': 'N/A'}

Analyze 4-methyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide (CID 2058936) is 4-methyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1.
What is the InChIKey of 4-methyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide?
The InChIKey is SAFFQXIHUBKGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4S2/c1-11-6-8-12(9-7-11)25(21,22)19-15-10-16-17(23-18(20)24-16)14-5-3-2-4-13(14)15/h2-10,19H,1H3.
What are the key properties of 4-methyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide?
4-methyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide has a molecular weight of 371.44 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide is sourced from PubChem (CID 2058936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).