N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide

C13H12F2N2O3S — CID 61249942

IUPACN-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(=O)[nH]c1)c1ccc(F)cc1F
InChIInChI=1S/C13H12F2N2O3S/c1-8(11-4-2-9(14)6-12(11)15)17-21(19,20)10-3-5-13(18)16-7-10/h2-8,17H,1H3,(H,16,18)
InChIKeyPNYBAZLZOIJMES-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.69
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide

N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 61249942) has the molecular formula C13H12F2N2O3S and a molecular weight of 314.31 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID61249942
Molecular FormulaC13H12F2N2O3S
Molecular Weight314.31 g/mol
Exact Mass314.05
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(=O)[nH]c1)c1ccc(F)cc1F
InChIInChI=1S/C13H12F2N2O3S/c1-8(11-4-2-9(14)6-12(11)15)17-21(19,20)10-3-5-13(18)16-7-10/h2-8,17H,1H3,(H,16,18)
InChIKeyPNYBAZLZOIJMES-UHFFFAOYSA-N
XLogP1.69
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 51169578
6-chloro-N-[1-(2,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
CID 60639957
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 26001406
N-[1-(2,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55558604
N-(3-methylbutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629183
2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide
CID 55907244
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629227
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 32676505
6-oxo-N-(2,3,5,6-tetrafluorophenyl)-1H-pyridine-3-sulfonamide
CID 107642714
N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629041
N-(3-methylpentan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54955517
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-3-methyltriazole-4-sulfonamide
CID 106467672

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide (CID 61249942) is N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide is CC(NS(=O)(=O)c1ccc(=O)[nH]c1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is PNYBAZLZOIJMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3S/c1-8(11-4-2-9(14)6-12(11)15)17-21(19,20)10-3-5-13(18)16-7-10/h2-8,17H,1H3,(H,16,18).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide?
N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 314.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 61249942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).