2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid

C12H8ClFN2O4S — CID 107090141

IUPAC2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1Cl
InChIInChI=1S/C12H8ClFN2O4S/c13-10-5-8(2-3-9(10)12(17)18)21(19,20)16-11-4-1-7(14)6-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyGSOXWRPITXEVID-UHFFFAOYSA-N
MW330.72 g/mol
LogP2.37
Rot. Bonds4

About 2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid

2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 107090141) has the molecular formula C12H8ClFN2O4S and a molecular weight of 330.72 g/mol. Its IUPAC name is 2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
PubChem CID107090141
Molecular FormulaC12H8ClFN2O4S
Molecular Weight330.72 g/mol
Exact Mass329.99
IUPAC Name2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1Cl
InChIInChI=1S/C12H8ClFN2O4S/c13-10-5-8(2-3-9(10)12(17)18)21(19,20)16-11-4-1-7(14)6-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyGSOXWRPITXEVID-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

5,6-dichloro-N-(5-fluoro-2-pyridinyl)pyridine-3-sulfonamide
CID 64687580
6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61317579
2-chloro-N-(5-fluoro-2-pyridinyl)pyridine-4-sulfonamide
CID 65482049
2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28519051
4-amino-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 82844573
2-chloro-4-(pyridin-4-ylsulfamoyl)benzoic acid
CID 107089863
3,4-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 74229116
2-chloro-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzoic acid
CID 103710289
2-chloro-4-(1H-imidazol-2-ylsulfamoyl)benzoic acid
CID 107090081
2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
CID 116812704
4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid
CID 6463370
3-amino-4-bromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 115329522

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid (CID 107090141) is 2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is GSOXWRPITXEVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O4S/c13-10-5-8(2-3-9(10)12(17)18)21(19,20)16-11-4-1-7(14)6-15-11/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid?
2-chloro-4-[(5-fluoro-2-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 2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 107090141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).