5-(benzenesulfonyl)-2-methylbenzenesulfonamide

C13H13NO4S2 — CID 877266

IUPAC5-(benzenesulfonyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C13H13NO4S2/c1-10-7-8-12(9-13(10)20(14,17)18)19(15,16)11-5-3-2-4-6-11/h2-9H,1H3,(H2,14,17,18)
InChIKeyIQXUGIPLBLPXIM-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.48
Rot. Bonds3

About 5-(benzenesulfonyl)-2-methylbenzenesulfonamide

5-(benzenesulfonyl)-2-methylbenzenesulfonamide (PubChem CID 877266) has the molecular formula C13H13NO4S2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-methylbenzenesulfonamide
PubChem CID877266
Molecular FormulaC13H13NO4S2
Molecular Weight311.38 g/mol
Exact Mass311.03
IUPAC Name5-(benzenesulfonyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)c2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C13H13NO4S2/c1-10-7-8-12(9-13(10)20(14,17)18)19(15,16)11-5-3-2-4-6-11/h2-9H,1H3,(H2,14,17,18)
InChIKeyIQXUGIPLBLPXIM-UHFFFAOYSA-N
XLogP1.48
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-2-methylbenzenesulfonamide (CID 877266) is 5-(benzenesulfonyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-2-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)c2ccccc2)cc1S(N)(=O)=O.
What is the InChIKey of 5-(benzenesulfonyl)-2-methylbenzenesulfonamide?
The InChIKey is IQXUGIPLBLPXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S2/c1-10-7-8-12(9-13(10)20(14,17)18)19(15,16)11-5-3-2-4-6-11/h2-9H,1H3,(H2,14,17,18).
What are the key properties of 5-(benzenesulfonyl)-2-methylbenzenesulfonamide?
5-(benzenesulfonyl)-2-methylbenzenesulfonamide has a molecular weight of 311.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 877266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).