4-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid

C13H15N3O4S — CID 63820973

IUPAC4-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C13H15N3O4S/c1-3-9-4-5-10(13(17)18)7-11(9)21(19,20)16-12-6-8(2)14-15-12/h4-7H,3H2,1-2H3,(H,17,18)(H2,14,15,16)
InChIKeyAJYLLDGTXZVOFB-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.78
Rot. Bonds5

About 4-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid

4-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid (PubChem CID 63820973) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
PubChem CID63820973
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name4-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(C)[nH]n1
InChIInChI=1S/C13H15N3O4S/c1-3-9-4-5-10(13(17)18)7-11(9)21(19,20)16-12-6-8(2)14-15-12/h4-7H,3H2,1-2H3,(H,17,18)(H2,14,15,16)
InChIKeyAJYLLDGTXZVOFB-UHFFFAOYSA-N
XLogP1.78
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]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-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid (CID 63820973) is 4-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid is CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(C)[nH]n1.
What is the InChIKey of 4-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
The InChIKey is AJYLLDGTXZVOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-3-9-4-5-10(13(17)18)7-11(9)21(19,20)16-12-6-8(2)14-15-12/h4-7H,3H2,1-2H3,(H,17,18)(H2,14,15,16).
What are the key properties of 4-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
4-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid has a molecular weight of 309.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 63820973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).