5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid

C13H12ClN3O4S — CID 167946559

IUPAC5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid
SMILESCc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C13H12ClN3O4S/c1-8-11(13(18)19)5-9(14)6-12(8)22(20,21)16-7-10-3-2-4-15-17-10/h2-6,16H,7H2,1H3,(H,18,19)
InChIKeyOUGJSTASBRLWAB-UHFFFAOYSA-N
MW341.78 g/mol
LogP1.62
Rot. Bonds5

About 5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid

5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid (PubChem CID 167946559) has the molecular formula C13H12ClN3O4S and a molecular weight of 341.78 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid
PubChem CID167946559
Molecular FormulaC13H12ClN3O4S
Molecular Weight341.78 g/mol
Exact Mass341.02
IUPAC Name5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid
SMILESCc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C13H12ClN3O4S/c1-8-11(13(18)19)5-9(14)6-12(8)22(20,21)16-7-10-3-2-4-15-17-10/h2-6,16H,7H2,1H3,(H,18,19)
InChIKeyOUGJSTASBRLWAB-UHFFFAOYSA-N
XLogP1.62
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.78
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)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 5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid (CID 167946559) is 5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid is Cc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NCc1cccnn1.
What is the InChIKey of 5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid?
The InChIKey is OUGJSTASBRLWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O4S/c1-8-11(13(18)19)5-9(14)6-12(8)22(20,21)16-7-10-3-2-4-15-17-10/h2-6,16H,7H2,1H3,(H,18,19).
What are the key properties of 5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid?
5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid has a molecular weight of 341.78 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-(pyridazin-3-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 167946559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).