2-fluoro-N-[2-(3-methyl-5-pyridin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide

C20H17FN2O3S — CID 159837949

IUPAC2-fluoro-N-[2-(3-methyl-5-pyridin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(C(=O)CNS(=O)(=O)c2ccccc2F)cc(-c2ccccn2)c1
InChIInChI=1S/C20H17FN2O3S/c1-14-10-15(18-7-4-5-9-22-18)12-16(11-14)19(24)13-23-27(25,26)20-8-3-2-6-17(20)21/h2-12,23H,13H2,1H3
InChIKeyNOIADXAQJHAPIX-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.36
Rot. Bonds6

About 2-fluoro-N-[2-(3-methyl-5-pyridin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide

2-fluoro-N-[2-(3-methyl-5-pyridin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide (PubChem CID 159837949) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-fluoro-N-[2-(3-methyl-5-pyridin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(3-methyl-5-pyridin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide
PubChem CID159837949
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name2-fluoro-N-[2-(3-methyl-5-pyridin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide
SMILESCc1cc(C(=O)CNS(=O)(=O)c2ccccc2F)cc(-c2ccccn2)c1
InChIInChI=1S/C20H17FN2O3S/c1-14-10-15(18-7-4-5-9-22-18)12-16(11-14)19(24)13-23-27(25,26)20-8-3-2-6-17(20)21/h2-12,23H,13H2,1H3
InChIKeyNOIADXAQJHAPIX-UHFFFAOYSA-N
XLogP3.36
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(3-methyl-5-pyridin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-(3-methyl-5-pyridin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide (CID 159837949) is 2-fluoro-N-[2-(3-methyl-5-pyridin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-(3-methyl-5-pyridin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-(3-methyl-5-pyridin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide is Cc1cc(C(=O)CNS(=O)(=O)c2ccccc2F)cc(-c2ccccn2)c1.
What is the InChIKey of 2-fluoro-N-[2-(3-methyl-5-pyridin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is NOIADXAQJHAPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-14-10-15(18-7-4-5-9-22-18)12-16(11-14)19(24)13-23-27(25,26)20-8-3-2-6-17(20)21/h2-12,23H,13H2,1H3.
What are the key properties of 2-fluoro-N-[2-(3-methyl-5-pyridin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide?
2-fluoro-N-[2-(3-methyl-5-pyridin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 384.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(3-methyl-5-pyridin-2-ylphenyl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 159837949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).