N-[1-(2-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide

C14H15FN2O3S — CID 60959573

IUPACN-[1-(2-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(c1ccccc1F)N(C)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H15FN2O3S/c1-10(12-5-3-4-6-13(12)15)17(2)21(19,20)11-7-8-14(18)16-9-11/h3-10H,1-2H3,(H,16,18)
InChIKeyAXNIRQJALTVAOE-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.90
Rot. Bonds4

About N-[1-(2-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide

N-[1-(2-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 60959573) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID60959573
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(c1ccccc1F)N(C)S(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H15FN2O3S/c1-10(12-5-3-4-6-13(12)15)17(2)21(19,20)11-7-8-14(18)16-9-11/h3-10H,1-2H3,(H,16,18)
InChIKeyAXNIRQJALTVAOE-UHFFFAOYSA-N
XLogP1.90
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-4-sulfonamide
CID 61045211
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N-methylthiophene-2-sulfonamide
CID 61067762
N-[1-(2-fluorophenyl)ethyl]-N-methylpyrrolidine-3-sulfonamide
CID 65416386
4-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 93207173
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
N-ethyl-6-oxo-N-phenyl-1H-pyridine-3-sulfonamide
CID 829830
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 42841650
6-oxo-1H-pyridine-3-sulfonyl fluoride
CID 138040660
2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 18192076
N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61249942
4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 103697221
N-(2,3-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61075597

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide (CID 60959573) is N-[1-(2-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide is CC(c1ccccc1F)N(C)S(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is AXNIRQJALTVAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-10(12-5-3-4-6-13(12)15)17(2)21(19,20)11-7-8-14(18)16-9-11/h3-10H,1-2H3,(H,16,18).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide?
N-[1-(2-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-N-methyl-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 60959573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).