6-[(4-fluorophenyl)sulfonyl-methylamino]pyridine-2-carboxylic acid

C13H11FN2O4S — CID 5263744

IUPAC6-[(4-fluorophenyl)sulfonyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(c1cccc(C(=O)O)n1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O4S/c1-16(12-4-2-3-11(15-12)13(17)18)21(19,20)10-7-5-9(14)6-8-10/h2-8H,1H3,(H,17,18)
InChIKeySUQMNXQHQZQAMV-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.74
Rot. Bonds4

About 6-[(4-fluorophenyl)sulfonyl-methylamino]pyridine-2-carboxylic acid

6-[(4-fluorophenyl)sulfonyl-methylamino]pyridine-2-carboxylic acid (PubChem CID 5263744) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)sulfonyl-methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-fluorophenyl)sulfonyl-methylamino]pyridine-2-carboxylic acid
PubChem CID5263744
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name6-[(4-fluorophenyl)sulfonyl-methylamino]pyridine-2-carboxylic acid
SMILESCN(c1cccc(C(=O)O)n1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H11FN2O4S/c1-16(12-4-2-3-11(15-12)13(17)18)21(19,20)10-7-5-9(14)6-8-10/h2-8H,1H3,(H,17,18)
InChIKeySUQMNXQHQZQAMV-UHFFFAOYSA-N
XLogP1.74
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)sulfonyl-methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-fluorophenyl)sulfonyl-methylamino]pyridine-2-carboxylic acid (CID 5263744) is 6-[(4-fluorophenyl)sulfonyl-methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-fluorophenyl)sulfonyl-methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-fluorophenyl)sulfonyl-methylamino]pyridine-2-carboxylic acid is CN(c1cccc(C(=O)O)n1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)sulfonyl-methylamino]pyridine-2-carboxylic acid?
The InChIKey is SUQMNXQHQZQAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c1-16(12-4-2-3-11(15-12)13(17)18)21(19,20)10-7-5-9(14)6-8-10/h2-8H,1H3,(H,17,18).
What are the key properties of 6-[(4-fluorophenyl)sulfonyl-methylamino]pyridine-2-carboxylic acid?
6-[(4-fluorophenyl)sulfonyl-methylamino]pyridine-2-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)sulfonyl-methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 5263744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).