2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)acetamide

C14H14N2O5S2 — CID 3278449

IUPAC2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H14N2O5S2/c15-23(20,21)13-8-6-11(7-9-13)16-14(17)10-22(18,19)12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)(H2,15,20,21)
InChIKeyWULDGGXGGUWHLS-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.75
Rot. Bonds5

About 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)acetamide

2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 3278449) has the molecular formula C14H14N2O5S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID3278449
Molecular FormulaC14H14N2O5S2
Molecular Weight354.41 g/mol
Exact Mass354.03
IUPAC Name2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H14N2O5S2/c15-23(20,21)13-8-6-11(7-9-13)16-14(17)10-22(18,19)12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)(H2,15,20,21)
InChIKeyWULDGGXGGUWHLS-UHFFFAOYSA-N
XLogP0.75
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)acetamide (CID 3278449) is 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is WULDGGXGGUWHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S2/c15-23(20,21)13-8-6-11(7-9-13)16-14(17)10-22(18,19)12-4-2-1-3-5-12/h1-9H,10H2,(H,16,17)(H2,15,20,21).
What are the key properties of 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)acetamide?
2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 3278449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).