6-[ethyl-(4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid

C14H13FN2O4S — CID 5263796

IUPAC6-[ethyl-(4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESCCN(c1cccc(C(=O)O)n1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O4S/c1-2-17(13-5-3-4-12(16-13)14(18)19)22(20,21)11-8-6-10(15)7-9-11/h3-9H,2H2,1H3,(H,18,19)
InChIKeyQUOCPFCGNMVERM-UHFFFAOYSA-N
MW324.33 g/mol
LogP2.13
Rot. Bonds5

About 6-[ethyl-(4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid

6-[ethyl-(4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid (PubChem CID 5263796) has the molecular formula C14H13FN2O4S and a molecular weight of 324.33 g/mol. Its IUPAC name is 6-[ethyl-(4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl-(4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
PubChem CID5263796
Molecular FormulaC14H13FN2O4S
Molecular Weight324.33 g/mol
Exact Mass324.06
IUPAC Name6-[ethyl-(4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESCCN(c1cccc(C(=O)O)n1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O4S/c1-2-17(13-5-3-4-12(16-13)14(18)19)22(20,21)11-8-6-10(15)7-9-11/h3-9H,2H2,1H3,(H,18,19)
InChIKeyQUOCPFCGNMVERM-UHFFFAOYSA-N
XLogP2.13
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[ethyl-(4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[ethyl-(4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid (CID 5263796) is 6-[ethyl-(4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[ethyl-(4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[ethyl-(4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid is CCN(c1cccc(C(=O)O)n1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 6-[ethyl-(4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
The InChIKey is QUOCPFCGNMVERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4S/c1-2-17(13-5-3-4-12(16-13)14(18)19)22(20,21)11-8-6-10(15)7-9-11/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 6-[ethyl-(4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid?
6-[ethyl-(4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid has a molecular weight of 324.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl-(4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 5263796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).