2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine

C20H16ClF2NO2S — CID 59750846

IUPAC2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)C(CCc1ccccn1)c1cc(F)ccc1F
InChIInChI=1S/C20H16ClF2NO2S/c21-14-4-8-17(9-5-14)27(25,26)20(11-7-16-3-1-2-12-24-16)18-13-15(22)6-10-19(18)23/h1-6,8-10,12-13,20H,7,11H2
InChIKeyHPYPTHFOTYQDRZ-UHFFFAOYSA-N
MW407.87 g/mol
LogP5.16
Rot. Bonds6

About 2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine

2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine (PubChem CID 59750846) has the molecular formula C20H16ClF2NO2S and a molecular weight of 407.87 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine
PubChem CID59750846
Molecular FormulaC20H16ClF2NO2S
Molecular Weight407.87 g/mol
Exact Mass407.06
IUPAC Name2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)C(CCc1ccccn1)c1cc(F)ccc1F
InChIInChI=1S/C20H16ClF2NO2S/c21-14-4-8-17(9-5-14)27(25,26)20(11-7-16-3-1-2-12-24-16)18-13-15(22)6-10-19(18)23/h1-6,8-10,12-13,20H,7,11H2
InChIKeyHPYPTHFOTYQDRZ-UHFFFAOYSA-N
XLogP5.16
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.87
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl] pyridine-2-carboxylate
CID 141068504
2-[1-(4-chlorophenyl)sulfonyl-3-(2-methylphenyl)propyl]-1,4-difluorobenzene
CID 23028766
2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene
CID 23028629
1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole
CID 59750748
N-[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylacetamide
CID 58734275
2-[1-(4-chlorophenyl)sulfonyl-6-methylsulfonylhexyl]-1,4-difluorobenzene
CID 59750834
2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine
CID 16681305
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine
CID 23114544
tert-butyl-[2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]sulfanylethoxy]-diphenyl-λ4-sulfane
CID 59750802
3-(5-chloro-2-fluorophenyl)-3-(4-chlorophenyl)sulfonyl-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 23401849
2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine
CID 142980749
ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate
CID 142175698

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine?
The IUPAC name of 2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine (CID 59750846) is 2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine.
What is the SMILES notation for 2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine?
The canonical SMILES for 2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine is O=S(=O)(c1ccc(Cl)cc1)C(CCc1ccccn1)c1cc(F)ccc1F.
What is the InChIKey of 2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine?
The InChIKey is HPYPTHFOTYQDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2NO2S/c21-14-4-8-17(9-5-14)27(25,26)20(11-7-16-3-1-2-12-24-16)18-13-15(22)6-10-19(18)23/h1-6,8-10,12-13,20H,7,11H2.
What are the key properties of 2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine?
2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine has a molecular weight of 407.87 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine is sourced from PubChem (CID 59750846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).