2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid

C12H8Cl2N2O4S — CID 29050395

IUPAC2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccncc2)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2N2O4S/c13-9-6-10(14)11(5-8(9)12(17)18)21(19,20)16-7-1-3-15-4-2-7/h1-6H,(H,15,16)(H,17,18)
InChIKeyAWENDAINCBTVJD-UHFFFAOYSA-N
MW347.18 g/mol
LogP2.89
Rot. Bonds4

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

2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid (PubChem CID 29050395) has the molecular formula C12H8Cl2N2O4S and a molecular weight of 347.18 g/mol. Its IUPAC name is 2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid
PubChem CID29050395
Molecular FormulaC12H8Cl2N2O4S
Molecular Weight347.18 g/mol
Exact Mass345.96
IUPAC Name2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccncc2)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl2N2O4S/c13-9-6-10(14)11(5-8(9)12(17)18)21(19,20)16-7-1-3-15-4-2-7/h1-6H,(H,15,16)(H,17,18)
InChIKeyAWENDAINCBTVJD-UHFFFAOYSA-N
XLogP2.89
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-5-(pyridin-4-ylsulfamoyl)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

Related Compounds

2-chloro-4-(pyridin-4-ylsulfamoyl)benzoic acid
CID 107089863
2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 992252
2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 45412910
2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid
CID 116786407
2,4-dichloro-5-(chlorosulfamoyl)benzoic acid
CID 141397488
2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid
CID 10432094
2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 60703802
2,4-dichloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide
CID 2996026
2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
2,4-dichloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 2473332
2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid
CID 115405532
2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid
CID 2471817

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid?
The IUPAC name of 2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid (CID 29050395) is 2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccncc2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid?
The InChIKey is AWENDAINCBTVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O4S/c13-9-6-10(14)11(5-8(9)12(17)18)21(19,20)16-7-1-3-15-4-2-7/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid?
2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid has a molecular weight of 347.18 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 29050395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).