2-methyl-5-(propylsulfonylamino)benzoic acid

C11H15NO4S — CID 63653698

IUPAC2-methyl-5-(propylsulfonylamino)benzoic acid
SMILESCCCS(=O)(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C11H15NO4S/c1-3-6-17(15,16)12-9-5-4-8(2)10(7-9)11(13)14/h4-5,7,12H,3,6H2,1-2H3,(H,13,14)
InChIKeyWJCLRUKNSFNKIE-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.84
Rot. Bonds5

About 2-methyl-5-(propylsulfonylamino)benzoic acid

2-methyl-5-(propylsulfonylamino)benzoic acid (PubChem CID 63653698) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-methyl-5-(propylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name2-methyl-5-(propylsulfonylamino)benzoic acid
PubChem CID63653698
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-methyl-5-(propylsulfonylamino)benzoic acid
SMILESCCCS(=O)(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C11H15NO4S/c1-3-6-17(15,16)12-9-5-4-8(2)10(7-9)11(13)14/h4-5,7,12H,3,6H2,1-2H3,(H,13,14)
InChIKeyWJCLRUKNSFNKIE-UHFFFAOYSA-N
XLogP1.84
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-(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

Related Compounds

5-[(3-ethoxy-3-oxopropyl)sulfonylamino]-2-methylbenzoic acid
CID 63653859
5-(cyclohexylmethylsulfonylamino)-2-methylbenzoic acid
CID 63653860
N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
CID 64794580
5-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 146121517
4-(3-methoxypropylsulfonylamino)-2-methylbenzoic acid
CID 55172688
3-methyl-5-(propylsulfonylamino)benzoic acid
CID 135240284
N-(4-methyl-3-nitrophenyl)propane-1-sulfonamide
CID 60640313
2-methyl-5-(propylsulfonylamino)-1-benzofuran-3-carboxylic acid
CID 28916619
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propane-1-sulfonamide
CID 63333882
5-(2-aminopentanoylamino)-2-methylbenzoic acid
CID 63654195
5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid
CID 136540449
2-methyl-4-(propylsulfonylamino)benzenesulfonamide
CID 43134191

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(propylsulfonylamino)benzoic acid?
The IUPAC name of 2-methyl-5-(propylsulfonylamino)benzoic acid (CID 63653698) is 2-methyl-5-(propylsulfonylamino)benzoic acid.
What is the SMILES notation for 2-methyl-5-(propylsulfonylamino)benzoic acid?
The canonical SMILES for 2-methyl-5-(propylsulfonylamino)benzoic acid is CCCS(=O)(=O)Nc1ccc(C)c(C(=O)O)c1.
What is the InChIKey of 2-methyl-5-(propylsulfonylamino)benzoic acid?
The InChIKey is WJCLRUKNSFNKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-3-6-17(15,16)12-9-5-4-8(2)10(7-9)11(13)14/h4-5,7,12H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-5-(propylsulfonylamino)benzoic acid?
2-methyl-5-(propylsulfonylamino)benzoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(propylsulfonylamino)benzoic acid is sourced from PubChem (CID 63653698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).