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

C11H7Cl2N3O4S — CID 116786407

IUPAC2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccnn2)c(Cl)cc1Cl
InChIInChI=1S/C11H7Cl2N3O4S/c12-7-5-8(13)9(4-6(7)11(17)18)21(19,20)16-10-2-1-3-14-15-10/h1-5H,(H,15,16)(H,17,18)
InChIKeyKITCDLDHCLAOAS-UHFFFAOYSA-N
MW348.17 g/mol
LogP2.28
Rot. Bonds4

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

2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid (PubChem CID 116786407) has the molecular formula C11H7Cl2N3O4S and a molecular weight of 348.17 g/mol. Its IUPAC name is 2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid
PubChem CID116786407
Molecular FormulaC11H7Cl2N3O4S
Molecular Weight348.17 g/mol
Exact Mass346.95
IUPAC Name2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2cccnn2)c(Cl)cc1Cl
InChIInChI=1S/C11H7Cl2N3O4S/c12-7-5-8(13)9(4-6(7)11(17)18)21(19,20)16-10-2-1-3-14-15-10/h1-5H,(H,15,16)(H,17,18)
InChIKeyKITCDLDHCLAOAS-UHFFFAOYSA-N
XLogP2.28
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid
CID 116786417
2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid
CID 29050395
5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 59436556
2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 60703802
2,4-dichloro-5-(chlorosulfamoyl)benzoic acid
CID 141397488
2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 2473332
2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 992252
2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 45412910
3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 114380364
2,4-dichloro-5-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 65107865
2,4-dichloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide
CID 2996026
5-chloro-6-hydrazinyl-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787298

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid?
The IUPAC name of 2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid (CID 116786407) is 2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2cccnn2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid?
The InChIKey is KITCDLDHCLAOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O4S/c12-7-5-8(13)9(4-6(7)11(17)18)21(19,20)16-10-2-1-3-14-15-10/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid?
2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid has a molecular weight of 348.17 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 116786407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).