2-(2-sulfamoylethylamino)benzoic acid

C9H12N2O4S — CID 62231211

IUPAC2-(2-sulfamoylethylamino)benzoic acid
SMILESNS(=O)(=O)CCNc1ccccc1C(=O)O
InChIInChI=1S/C9H12N2O4S/c10-16(14,15)6-5-11-8-4-2-1-3-7(8)9(12)13/h1-4,11H,5-6H2,(H,12,13)(H2,10,14,15)
InChIKeyIXWDAVIUFCOQCV-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.09
Rot. Bonds5

About 2-(2-sulfamoylethylamino)benzoic acid

2-(2-sulfamoylethylamino)benzoic acid (PubChem CID 62231211) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(2-sulfamoylethylamino)benzoic acid.

Molecular Properties

Compound Name2-(2-sulfamoylethylamino)benzoic acid
PubChem CID62231211
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-(2-sulfamoylethylamino)benzoic acid
SMILESNS(=O)(=O)CCNc1ccccc1C(=O)O
InChIInChI=1S/C9H12N2O4S/c10-16(14,15)6-5-11-8-4-2-1-3-7(8)9(12)13/h1-4,11H,5-6H2,(H,12,13)(H2,10,14,15)
InChIKeyIXWDAVIUFCOQCV-UHFFFAOYSA-N
XLogP0.09
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-sulfamoylethylamino)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

Related Compounds

2-(2-methylsulfonylethylamino)benzoic acid
CID 62230522
2-[2-(2-chloroethylsulfonyl)ethylamino]benzoic acid
CID 173307369
methyl 2-amino-3-(2-sulfamoylethylamino)benzoate
CID 115544871
2-(naphthalen-1-ylamino)ethanesulfonamide
CID 114384703
2-(tetradecylamino)benzoic acid
CID 15090293
2-[(2-bromophenyl)methylamino]benzoic acid
CID 43139537
2-(2-nitroanilino)ethanesulfonamide
CID 43552409
2-(2-propylanilino)ethanesulfonamide
CID 114384948
2-[2-(2-methoxyethoxy)ethylamino]benzoic acid
CID 62230020
2-(2-aminoethylsulfamoylamino)benzoic acid
CID 84761008
2-(3-phenylbutylamino)benzoic acid
CID 63423081
2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid
CID 79522120

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfamoylethylamino)benzoic acid?
The IUPAC name of 2-(2-sulfamoylethylamino)benzoic acid (CID 62231211) is 2-(2-sulfamoylethylamino)benzoic acid.
What is the SMILES notation for 2-(2-sulfamoylethylamino)benzoic acid?
The canonical SMILES for 2-(2-sulfamoylethylamino)benzoic acid is NS(=O)(=O)CCNc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-sulfamoylethylamino)benzoic acid?
The InChIKey is IXWDAVIUFCOQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c10-16(14,15)6-5-11-8-4-2-1-3-7(8)9(12)13/h1-4,11H,5-6H2,(H,12,13)(H2,10,14,15).
What are the key properties of 2-(2-sulfamoylethylamino)benzoic acid?
2-(2-sulfamoylethylamino)benzoic acid has a molecular weight of 244.27 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfamoylethylamino)benzoic acid is sourced from PubChem (CID 62231211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).