2-(propylsulfonylamino)benzoic acid

C10H13NO4S — CID 16770253

IUPAC2-(propylsulfonylamino)benzoic acid
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C10H13NO4S/c1-2-7-16(14,15)11-9-6-4-3-5-8(9)10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)
InChIKeyYEXKFOGSUASBRA-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.54
Rot. Bonds5

About 2-(propylsulfonylamino)benzoic acid

2-(propylsulfonylamino)benzoic acid (PubChem CID 16770253) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(propylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name2-(propylsulfonylamino)benzoic acid
PubChem CID16770253
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-(propylsulfonylamino)benzoic acid
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C10H13NO4S/c1-2-7-16(14,15)11-9-6-4-3-5-8(9)10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13)
InChIKeyYEXKFOGSUASBRA-UHFFFAOYSA-N
XLogP1.54
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(propylsulfonylamino)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 2-(propylsulfonylamino)benzoic acid?
The IUPAC name of 2-(propylsulfonylamino)benzoic acid (CID 16770253) is 2-(propylsulfonylamino)benzoic acid.
What is the SMILES notation for 2-(propylsulfonylamino)benzoic acid?
The canonical SMILES for 2-(propylsulfonylamino)benzoic acid is CCCS(=O)(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-(propylsulfonylamino)benzoic acid?
The InChIKey is YEXKFOGSUASBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-2-7-16(14,15)11-9-6-4-3-5-8(9)10(12)13/h3-6,11H,2,7H2,1H3,(H,12,13).
What are the key properties of 2-(propylsulfonylamino)benzoic acid?
2-(propylsulfonylamino)benzoic acid has a molecular weight of 243.28 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfonylamino)benzoic acid is sourced from PubChem (CID 16770253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).