4-(benzenesulfonamido)benzenesulfonamide

C12H12N2O4S2 — CID 822774

IUPAC4-(benzenesulfonamido)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C12H12N2O4S2/c13-19(15,16)11-8-6-10(7-9-11)14-20(17,18)12-4-2-1-3-5-12/h1-9,14H,(H2,13,15,16)
InChIKeyFOOYRJIJNYBGIF-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.13
Rot. Bonds4

About 4-(benzenesulfonamido)benzenesulfonamide

4-(benzenesulfonamido)benzenesulfonamide (PubChem CID 822774) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(benzenesulfonamido)benzenesulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)benzenesulfonamide
PubChem CID822774
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Name4-(benzenesulfonamido)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C12H12N2O4S2/c13-19(15,16)11-8-6-10(7-9-11)14-20(17,18)12-4-2-1-3-5-12/h1-9,14H,(H2,13,15,16)
InChIKeyFOOYRJIJNYBGIF-UHFFFAOYSA-N
XLogP1.13
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)benzenesulfonamide?
The IUPAC name of 4-(benzenesulfonamido)benzenesulfonamide (CID 822774) is 4-(benzenesulfonamido)benzenesulfonamide.
What is the SMILES notation for 4-(benzenesulfonamido)benzenesulfonamide?
The canonical SMILES for 4-(benzenesulfonamido)benzenesulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)benzenesulfonamide?
The InChIKey is FOOYRJIJNYBGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c13-19(15,16)11-8-6-10(7-9-11)14-20(17,18)12-4-2-1-3-5-12/h1-9,14H,(H2,13,15,16).
What are the key properties of 4-(benzenesulfonamido)benzenesulfonamide?
4-(benzenesulfonamido)benzenesulfonamide has a molecular weight of 312.37 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)benzenesulfonamide is sourced from PubChem (CID 822774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).