6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid

C12H8Cl2N2O4S — CID 63872022

IUPAC6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)nc1
InChIInChI=1S/C12H8Cl2N2O4S/c13-8-2-3-9(14)10(5-8)16-21(19,20)11-4-1-7(6-15-11)12(17)18/h1-6,16H,(H,17,18)
InChIKeyKAJWMNAZJSGCNO-UHFFFAOYSA-N
MW347.18 g/mol
LogP2.89
Rot. Bonds4

About 6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid

6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63872022) has the molecular formula C12H8Cl2N2O4S and a molecular weight of 347.18 g/mol. Its IUPAC name is 6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63872022
Molecular FormulaC12H8Cl2N2O4S
Molecular Weight347.18 g/mol
Exact Mass345.96
IUPAC Name6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)nc1
InChIInChI=1S/C12H8Cl2N2O4S/c13-8-2-3-9(14)10(5-8)16-21(19,20)11-4-1-7(6-15-11)12(17)18/h1-6,16H,(H,17,18)
InChIKeyKAJWMNAZJSGCNO-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

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Related Compounds

6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872589
6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872962
6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873742
6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873772
6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64782041
6-[(3-fluoro-4-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873343
6-(pyridin-2-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872213
4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104932565
6-chlorosulfonylpyridine-3-carboxylic acid
CID 58017306
6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 63873154
6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoyl]pyridine-3-carboxylic acid
CID 107848275
6-[(2,5-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099748

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid (CID 63872022) is 6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)nc1.
What is the InChIKey of 6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is KAJWMNAZJSGCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O4S/c13-8-2-3-9(14)10(5-8)16-21(19,20)11-4-1-7(6-15-11)12(17)18/h1-6,16H,(H,17,18).
What are the key properties of 6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic 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 6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63872022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).