4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid

C12H8ClFN2O4S — CID 107594770

IUPAC4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccncc2F)c1
InChIInChI=1S/C12H8ClFN2O4S/c13-8-2-1-7(12(17)18)5-11(8)21(19,20)16-10-3-4-15-6-9(10)14/h1-6H,(H,15,16)(H,17,18)
InChIKeyYVEYSSFVPZDDGU-UHFFFAOYSA-N
MW330.72 g/mol
LogP2.37
Rot. Bonds4

About 4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid

4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 107594770) has the molecular formula C12H8ClFN2O4S and a molecular weight of 330.72 g/mol. Its IUPAC name is 4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid
PubChem CID107594770
Molecular FormulaC12H8ClFN2O4S
Molecular Weight330.72 g/mol
Exact Mass329.99
IUPAC Name4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccncc2F)c1
InChIInChI=1S/C12H8ClFN2O4S/c13-8-2-1-7(12(17)18)5-11(8)21(19,20)16-10-3-4-15-6-9(10)14/h1-6H,(H,15,16)(H,17,18)
InChIKeyYVEYSSFVPZDDGU-UHFFFAOYSA-N
XLogP2.37
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 63327821
2-chloro-N-(3-fluoro-4-pyridinyl)-5-methoxybenzenesulfonamide
CID 75392083
4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63669848
4-chloro-3-(3-fluoro-4-pyridinyl)benzoic acid
CID 107989864
2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 104694683
4-acetyl-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103862771
2-fluoro-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 113340997
4-chloro-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid
CID 2411456
3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid
CID 2380504
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid
CID 105399818
4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid
CID 104856668
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid (CID 107594770) is 4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid is O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2ccncc2F)c1.
What is the InChIKey of 4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is YVEYSSFVPZDDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O4S/c13-8-2-1-7(12(17)18)5-11(8)21(19,20)16-10-3-4-15-6-9(10)14/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid?
4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid has a molecular weight of 330.72 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 107594770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).