4-sulfamoylbenzoic acid

C7H7NO4S — CID 8739

IUPAC4-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
InChIKeyUCAGLBKTLXCODC-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.03
Rot. Bonds2

About 4-sulfamoylbenzoic acid

4-sulfamoylbenzoic acid (PubChem CID 8739) has the molecular formula C7H7NO4S and a molecular weight of 201.20 g/mol. Its IUPAC name is 4-sulfamoylbenzoic acid.

Molecular Properties

Compound Name4-sulfamoylbenzoic acid
PubChem CID8739
Molecular FormulaC7H7NO4S
Molecular Weight201.20 g/mol
Exact Mass201.01
IUPAC Name4-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
InChIKeyUCAGLBKTLXCODC-UHFFFAOYSA-N
XLogP0.03
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-sulfamoylbenzoic acid?
The IUPAC name of 4-sulfamoylbenzoic acid (CID 8739) is 4-sulfamoylbenzoic acid.
What is the SMILES notation for 4-sulfamoylbenzoic acid?
The canonical SMILES for 4-sulfamoylbenzoic acid is NS(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-sulfamoylbenzoic acid?
The InChIKey is UCAGLBKTLXCODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12).
What are the key properties of 4-sulfamoylbenzoic acid?
4-sulfamoylbenzoic acid has a molecular weight of 201.20 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoylbenzoic acid is sourced from PubChem (CID 8739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).