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

C13H15N3O4S — CID 63820599

IUPAC3,4-dimethyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)n[nH]1
InChIInChI=1S/C13H15N3O4S/c1-7-4-10(13(17)18)6-11(9(7)3)21(19,20)16-12-5-8(2)14-15-12/h4-6H,1-3H3,(H,17,18)(H2,14,15,16)
InChIKeyPVDGIODKJWICHA-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.83
Rot. Bonds4

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

3,4-dimethyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid (PubChem CID 63820599) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 3,4-dimethyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3,4-dimethyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
PubChem CID63820599
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name3,4-dimethyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCc1cc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)n[nH]1
InChIInChI=1S/C13H15N3O4S/c1-7-4-10(13(17)18)6-11(9(7)3)21(19,20)16-12-5-8(2)14-15-12/h4-6H,1-3H3,(H,17,18)(H2,14,15,16)
InChIKeyPVDGIODKJWICHA-UHFFFAOYSA-N
XLogP1.83
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethyl-5-[(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 3,4-dimethyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 3,4-dimethyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid (CID 63820599) is 3,4-dimethyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3,4-dimethyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 3,4-dimethyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid is Cc1cc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)n[nH]1.
What is the InChIKey of 3,4-dimethyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
The InChIKey is PVDGIODKJWICHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-7-4-10(13(17)18)6-11(9(7)3)21(19,20)16-12-5-8(2)14-15-12/h4-6H,1-3H3,(H,17,18)(H2,14,15,16).
What are the key properties of 3,4-dimethyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid?
3,4-dimethyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid has a molecular weight of 309.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 63820599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).