2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine

C19H14F3NO2S — CID 21099406

IUPAC2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccc(CCc2ccc(F)cc2F)nc1)c1ccccc1F
InChIInChI=1S/C19H14F3NO2S/c20-14-7-5-13(18(22)11-14)6-8-15-9-10-16(12-23-15)26(24,25)19-4-2-1-3-17(19)21/h1-5,7,9-12H,6,8H2
InChIKeyHKZVZTXFVJPIGU-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.12
Rot. Bonds5

About 2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine

2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine (PubChem CID 21099406) has the molecular formula C19H14F3NO2S and a molecular weight of 377.39 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine
PubChem CID21099406
Molecular FormulaC19H14F3NO2S
Molecular Weight377.39 g/mol
Exact Mass377.07
IUPAC Name2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccc(CCc2ccc(F)cc2F)nc1)c1ccccc1F
InChIInChI=1S/C19H14F3NO2S/c20-14-7-5-13(18(22)11-14)6-8-15-9-10-16(12-23-15)26(24,25)19-4-2-1-3-17(19)21/h1-5,7,9-12H,6,8H2
InChIKeyHKZVZTXFVJPIGU-UHFFFAOYSA-N
XLogP4.12
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene
CID 21099422
2-[2-(2,4-difluorophenyl)ethenyl]-5-(2-fluorophenyl)sulfonylpyridine
CID 68530611
2,4-difluoro-1-[2-[4-(2-fluorophenyl)sulfonylphenyl]ethyl]benzene;1-[2-[4-[2-(2,4-difluorophenyl)ethyl]phenyl]sulfonylphenyl]imidazole
CID 69351431
2,4-difluoro-1-[(4-fluorophenyl)sulfonylmethyl]benzene
CID 64717962
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62228344
4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene
CID 114349484
N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103775603
1-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenyl]-4-methylpiperazine
CID 68536464
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103744911
N-[(2,4-difluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 81241598
1-(bromomethyl)-2-(4-fluorophenyl)sulfonylbenzene
CID 68626123
potassium 3-(2,4-difluorophenyl)sulfonylbenzenesulfonate
CID 142697327

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine?
The IUPAC name of 2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine (CID 21099406) is 2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine is O=S(=O)(c1ccc(CCc2ccc(F)cc2F)nc1)c1ccccc1F.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine?
The InChIKey is HKZVZTXFVJPIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2S/c20-14-7-5-13(18(22)11-14)6-8-15-9-10-16(12-23-15)26(24,25)19-4-2-1-3-17(19)21/h1-5,7,9-12H,6,8H2.
What are the key properties of 2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine?
2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine has a molecular weight of 377.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)sulfonylpyridine is sourced from PubChem (CID 21099406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).