4-[(4-sulfamoylphenyl)methyl]benzenesulfonamide

C13H14N2O4S2 — CID 749795

IUPAC4-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C13H14N2O4S2/c14-20(16,17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21(15,18)19/h1-8H,9H2,(H2,14,16,17)(H2,15,18,19)
InChIKeyYYAMOMYEENPVSP-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.57
Rot. Bonds4

About 4-[(4-sulfamoylphenyl)methyl]benzenesulfonamide

4-[(4-sulfamoylphenyl)methyl]benzenesulfonamide (PubChem CID 749795) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[(4-sulfamoylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
PubChem CID749795
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name4-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C13H14N2O4S2/c14-20(16,17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21(15,18)19/h1-8H,9H2,(H2,14,16,17)(H2,15,18,19)
InChIKeyYYAMOMYEENPVSP-UHFFFAOYSA-N
XLogP0.57
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(4-sulfamoylphenyl)methyl]benzenesulfonamide (CID 749795) is 4-[(4-sulfamoylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(4-sulfamoylphenyl)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(Cc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The InChIKey is YYAMOMYEENPVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c14-20(16,17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21(15,18)19/h1-8H,9H2,(H2,14,16,17)(H2,15,18,19).
What are the key properties of 4-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
4-[(4-sulfamoylphenyl)methyl]benzenesulfonamide has a molecular weight of 326.40 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-sulfamoylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 749795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).