3-(3-sulfamoylphenyl)sulfonylbenzenesulfonamide

C12H12N2O6S3 — CID 2058949

IUPAC3-(3-sulfamoylphenyl)sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C12H12N2O6S3/c13-22(17,18)11-5-1-3-9(7-11)21(15,16)10-4-2-6-12(8-10)23(14,19)20/h1-8H,(H2,13,17,18)(H2,14,19,20)
InChIKeyRUJBBTCBAOLDOI-UHFFFAOYSA-N
MW376.44 g/mol
LogP-0.19
Rot. Bonds4

About 3-(3-sulfamoylphenyl)sulfonylbenzenesulfonamide

3-(3-sulfamoylphenyl)sulfonylbenzenesulfonamide (PubChem CID 2058949) has the molecular formula C12H12N2O6S3 and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-(3-sulfamoylphenyl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name3-(3-sulfamoylphenyl)sulfonylbenzenesulfonamide
PubChem CID2058949
Molecular FormulaC12H12N2O6S3
Molecular Weight376.44 g/mol
Exact Mass375.99
IUPAC Name3-(3-sulfamoylphenyl)sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C12H12N2O6S3/c13-22(17,18)11-5-1-3-9(7-11)21(15,16)10-4-2-6-12(8-10)23(14,19)20/h1-8H,(H2,13,17,18)(H2,14,19,20)
InChIKeyRUJBBTCBAOLDOI-UHFFFAOYSA-N
XLogP-0.19
TPSA154.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(3-sulfamoylphenyl)sulfonylbenzenesulfonamide 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 3-(3-sulfamoylphenyl)sulfonylbenzenesulfonamide?
The IUPAC name of 3-(3-sulfamoylphenyl)sulfonylbenzenesulfonamide (CID 2058949) is 3-(3-sulfamoylphenyl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 3-(3-sulfamoylphenyl)sulfonylbenzenesulfonamide?
The canonical SMILES for 3-(3-sulfamoylphenyl)sulfonylbenzenesulfonamide is NS(=O)(=O)c1cccc(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 3-(3-sulfamoylphenyl)sulfonylbenzenesulfonamide?
The InChIKey is RUJBBTCBAOLDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O6S3/c13-22(17,18)11-5-1-3-9(7-11)21(15,16)10-4-2-6-12(8-10)23(14,19)20/h1-8H,(H2,13,17,18)(H2,14,19,20).
What are the key properties of 3-(3-sulfamoylphenyl)sulfonylbenzenesulfonamide?
3-(3-sulfamoylphenyl)sulfonylbenzenesulfonamide has a molecular weight of 376.44 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-sulfamoylphenyl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 2058949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).