4-(methylsulfamoylamino)benzoic acid

C8H10N2O4S — CID 114805288

IUPAC4-(methylsulfamoylamino)benzoic acid
SMILESCNS(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C8H10N2O4S/c1-9-15(13,14)10-7-4-2-6(3-5-7)8(11)12/h2-5,9-10H,1H3,(H,11,12)
InChIKeyQVBORSARTMCZBF-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.26
Rot. Bonds4

About 4-(methylsulfamoylamino)benzoic acid

4-(methylsulfamoylamino)benzoic acid (PubChem CID 114805288) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is 4-(methylsulfamoylamino)benzoic acid.

Molecular Properties

Compound Name4-(methylsulfamoylamino)benzoic acid
PubChem CID114805288
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC Name4-(methylsulfamoylamino)benzoic acid
SMILESCNS(=O)(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C8H10N2O4S/c1-9-15(13,14)10-7-4-2-6(3-5-7)8(11)12/h2-5,9-10H,1H3,(H,11,12)
InChIKeyQVBORSARTMCZBF-UHFFFAOYSA-N
XLogP0.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(methylsulfamoylamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfamoylamino)benzoic acid?
The IUPAC name of 4-(methylsulfamoylamino)benzoic acid (CID 114805288) is 4-(methylsulfamoylamino)benzoic acid.
What is the SMILES notation for 4-(methylsulfamoylamino)benzoic acid?
The canonical SMILES for 4-(methylsulfamoylamino)benzoic acid is CNS(=O)(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(methylsulfamoylamino)benzoic acid?
The InChIKey is QVBORSARTMCZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-9-15(13,14)10-7-4-2-6(3-5-7)8(11)12/h2-5,9-10H,1H3,(H,11,12).
What are the key properties of 4-(methylsulfamoylamino)benzoic acid?
4-(methylsulfamoylamino)benzoic acid has a molecular weight of 230.25 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfamoylamino)benzoic acid is sourced from PubChem (CID 114805288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).