6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid

C12H8ClFN2O4S — CID 61317579

IUPAC6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C12H8ClFN2O4S/c13-9-5-8(2-3-10(9)14)21(19,20)16-11-4-1-7(6-15-11)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyKKFUWANOHRRFFL-UHFFFAOYSA-N
MW330.72 g/mol
LogP2.37
Rot. Bonds4

About 6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid

6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 61317579) has the molecular formula C12H8ClFN2O4S and a molecular weight of 330.72 g/mol. Its IUPAC name is 6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID61317579
Molecular FormulaC12H8ClFN2O4S
Molecular Weight330.72 g/mol
Exact Mass329.99
IUPAC Name6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C12H8ClFN2O4S/c13-9-5-8(2-3-10(9)14)21(19,20)16-11-4-1-7(6-15-11)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyKKFUWANOHRRFFL-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

6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319004
4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid
CID 6463370
2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
CID 107090141
3,4-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 74229116
N-(5-chloro-2-pyridinyl)-3,4-difluorobenzenesulfonamide
CID 19683191
6-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319210
2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28519051
3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 115619551
6-[(3-fluoro-2-pyridinyl)sulfonylamino]pyridine-3-carboxylic acid
CID 103298756
3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide
CID 107847991
5,6-dichloro-N-(5-fluoro-2-pyridinyl)pyridine-3-sulfonamide
CID 64687580
6-(4-chloro-2-fluoroanilino)pyridine-3-carboxylic acid
CID 54954335

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 61317579) is 6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of 6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is KKFUWANOHRRFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O4S/c13-9-5-8(2-3-10(9)14)21(19,20)16-11-4-1-7(6-15-11)12(17)18/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic 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 6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 61317579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).