4-(benzenesulfonamidomethyl)benzenesulfonamide

C13H14N2O4S2 — CID 724642

IUPAC4-(benzenesulfonamidomethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C13H14N2O4S2/c14-20(16,17)12-8-6-11(7-9-12)10-15-21(18,19)13-4-2-1-3-5-13/h1-9,15H,10H2,(H2,14,16,17)
InChIKeyWXGMACVQSZVIDO-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.81
Rot. Bonds5

About 4-(benzenesulfonamidomethyl)benzenesulfonamide

4-(benzenesulfonamidomethyl)benzenesulfonamide (PubChem CID 724642) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)benzenesulfonamide
PubChem CID724642
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name4-(benzenesulfonamidomethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C13H14N2O4S2/c14-20(16,17)12-8-6-11(7-9-12)10-15-21(18,19)13-4-2-1-3-5-13/h1-9,15H,10H2,(H2,14,16,17)
InChIKeyWXGMACVQSZVIDO-UHFFFAOYSA-N
XLogP0.81
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamidomethyl)benzenesulfonamide?
The IUPAC name of 4-(benzenesulfonamidomethyl)benzenesulfonamide (CID 724642) is 4-(benzenesulfonamidomethyl)benzenesulfonamide.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)benzenesulfonamide?
The canonical SMILES for 4-(benzenesulfonamidomethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamidomethyl)benzenesulfonamide?
The InChIKey is WXGMACVQSZVIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c14-20(16,17)12-8-6-11(7-9-12)10-15-21(18,19)13-4-2-1-3-5-13/h1-9,15H,10H2,(H2,14,16,17).
What are the key properties of 4-(benzenesulfonamidomethyl)benzenesulfonamide?
4-(benzenesulfonamidomethyl)benzenesulfonamide has a molecular weight of 326.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamidomethyl)benzenesulfonamide is sourced from PubChem (CID 724642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).