5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylic acid

C15H13FN2O5S — CID 152781644

IUPAC5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NS(=O)(=O)CCc1ccc(F)cc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H13FN2O5S/c16-12-4-1-10(2-5-12)7-8-24(22,23)18-14(19)11-3-6-13(15(20)21)17-9-11/h1-6,9H,7-8H2,(H,18,19)(H,20,21)
InChIKeyAEQVXPXFSPWBNG-UHFFFAOYSA-N
MW352.34 g/mol
LogP1.22
Rot. Bonds6

About 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylic acid

5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 152781644) has the molecular formula C15H13FN2O5S and a molecular weight of 352.34 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID152781644
Molecular FormulaC15H13FN2O5S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC Name5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NS(=O)(=O)CCc1ccc(F)cc1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H13FN2O5S/c16-12-4-1-10(2-5-12)7-8-24(22,23)18-14(19)11-3-6-13(15(20)21)17-9-11/h1-6,9H,7-8H2,(H,18,19)(H,20,21)
InChIKeyAEQVXPXFSPWBNG-UHFFFAOYSA-N
XLogP1.22
TPSA113.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylic acid (CID 152781644) is 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylic acid is O=C(NS(=O)(=O)CCc1ccc(F)cc1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is AEQVXPXFSPWBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O5S/c16-12-4-1-10(2-5-12)7-8-24(22,23)18-14(19)11-3-6-13(15(20)21)17-9-11/h1-6,9H,7-8H2,(H,18,19)(H,20,21).
What are the key properties of 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylic acid?
5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 352.34 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 152781644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).