4-(benzenesulfonyl)benzenesulfonamide

C12H11NO4S2 — CID 12736910

IUPAC4-(benzenesulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C12H11NO4S2/c13-19(16,17)12-8-6-11(7-9-12)18(14,15)10-4-2-1-3-5-10/h1-9H,(H2,13,16,17)
InChIKeyHCYLVIIZNAIOBI-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.17
Rot. Bonds3

About 4-(benzenesulfonyl)benzenesulfonamide

4-(benzenesulfonyl)benzenesulfonamide (PubChem CID 12736910) has the molecular formula C12H11NO4S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-(benzenesulfonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)benzenesulfonamide
PubChem CID12736910
Molecular FormulaC12H11NO4S2
Molecular Weight297.36 g/mol
Exact Mass297.01
IUPAC Name4-(benzenesulfonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C12H11NO4S2/c13-19(16,17)12-8-6-11(7-9-12)18(14,15)10-4-2-1-3-5-10/h1-9H,(H2,13,16,17)
InChIKeyHCYLVIIZNAIOBI-UHFFFAOYSA-N
XLogP1.17
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)benzenesulfonamide?
The IUPAC name of 4-(benzenesulfonyl)benzenesulfonamide (CID 12736910) is 4-(benzenesulfonyl)benzenesulfonamide.
What is the SMILES notation for 4-(benzenesulfonyl)benzenesulfonamide?
The canonical SMILES for 4-(benzenesulfonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)benzenesulfonamide?
The InChIKey is HCYLVIIZNAIOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S2/c13-19(16,17)12-8-6-11(7-9-12)18(14,15)10-4-2-1-3-5-10/h1-9H,(H2,13,16,17).
What are the key properties of 4-(benzenesulfonyl)benzenesulfonamide?
4-(benzenesulfonyl)benzenesulfonamide has a molecular weight of 297.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)benzenesulfonamide is sourced from PubChem (CID 12736910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).