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

C20H17NO4S2 — CID 1184104

IUPAC2,4,5-trimethyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1C
InChIInChI=1S/C20H17NO4S2/c1-11-8-13(3)18(9-12(11)2)27(23,24)21-16-10-17-19(25-20(22)26-17)15-7-5-4-6-14(15)16/h4-10,21H,1-3H3
InChIKeyGRWYCFWUPOWDPS-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.73
Rot. Bonds3

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

2,4,5-trimethyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide (PubChem CID 1184104) has the molecular formula C20H17NO4S2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide
PubChem CID1184104
Molecular FormulaC20H17NO4S2
Molecular Weight399.49 g/mol
Exact Mass399.06
IUPAC Name2,4,5-trimethyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1C
InChIInChI=1S/C20H17NO4S2/c1-11-8-13(3)18(9-12(11)2)27(23,24)21-16-10-17-19(25-20(22)26-17)15-7-5-4-6-14(15)16/h4-10,21H,1-3H3
InChIKeyGRWYCFWUPOWDPS-UHFFFAOYSA-N
XLogP4.73
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4,5-trimethyl-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 2,4,5-trimethyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide (CID 1184104) is 2,4,5-trimethyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide?
The InChIKey is GRWYCFWUPOWDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S2/c1-11-8-13(3)18(9-12(11)2)27(23,24)21-16-10-17-19(25-20(22)26-17)15-7-5-4-6-14(15)16/h4-10,21H,1-3H3.
What are the key properties of 2,4,5-trimethyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide?
2,4,5-trimethyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide has a molecular weight of 399.49 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(2-oxobenzo[g][1,3]benzoxathiol-5-yl)benzenesulfonamide is sourced from PubChem (CID 1184104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).