2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid

C13H13N3O4S — CID 116786417

IUPAC2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccnn2)cc1C(=O)O
InChIInChI=1S/C13H13N3O4S/c1-8-6-9(2)11(7-10(8)13(17)18)21(19,20)16-12-4-3-5-14-15-12/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyYOGYZIPABQEPBR-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.59
Rot. Bonds4

About 2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid

2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid (PubChem CID 116786417) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid
PubChem CID116786417
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccnn2)cc1C(=O)O
InChIInChI=1S/C13H13N3O4S/c1-8-6-9(2)11(7-10(8)13(17)18)21(19,20)16-12-4-3-5-14-15-12/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyYOGYZIPABQEPBR-UHFFFAOYSA-N
XLogP1.59
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid
CID 116786407
methyl 3-amino-4-(pyridazin-3-ylsulfamoyl)benzoate
CID 116786194
4-acetyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116787283
3,5-dimethyl-4-(pyridazin-3-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 116786421
2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 123681136
5-[(2-acetyl-4-bromophenyl)sulfamoyl]-2,4-dimethylbenzoic acid
CID 75454534
4-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 118115921
5-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-2,4-dimethylbenzoic acid
CID 43545490
5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 59436556
5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116786202
2-hydroxy-4-methyl-5-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 63822246
3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 114380364

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid?
The IUPAC name of 2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid (CID 116786417) is 2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid is Cc1cc(C)c(S(=O)(=O)Nc2cccnn2)cc1C(=O)O.
What is the InChIKey of 2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid?
The InChIKey is YOGYZIPABQEPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-8-6-9(2)11(7-10(8)13(17)18)21(19,20)16-12-4-3-5-14-15-12/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid?
2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid has a molecular weight of 307.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 116786417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).