N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide

C13H10FN3O3S — CID 61274022

IUPACN-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCc1c(F)cc(C#N)cc1NS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H10FN3O3S/c1-8-11(14)4-9(6-15)5-12(8)17-21(19,20)10-2-3-13(18)16-7-10/h2-5,7,17H,1H3,(H,16,18)
InChIKeyQDBZHORRXVHKMP-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.49
Rot. Bonds3

About N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide

N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 61274022) has the molecular formula C13H10FN3O3S and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID61274022
Molecular FormulaC13H10FN3O3S
Molecular Weight307.31 g/mol
Exact Mass307.04
IUPAC NameN-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCc1c(F)cc(C#N)cc1NS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H10FN3O3S/c1-8-11(14)4-9(6-15)5-12(8)17-21(19,20)10-2-3-13(18)16-7-10/h2-5,7,17H,1H3,(H,16,18)
InChIKeyQDBZHORRXVHKMP-UHFFFAOYSA-N
XLogP1.49
TPSA102.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 61274022) is N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide is Cc1c(F)cc(C#N)cc1NS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is QDBZHORRXVHKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3S/c1-8-11(14)4-9(6-15)5-12(8)17-21(19,20)10-2-3-13(18)16-7-10/h2-5,7,17H,1H3,(H,16,18).
What are the key properties of N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 307.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 61274022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).