2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine

C19H14ClF2NO2S — CID 142980749

IUPAC2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)C(c1ccccn1)c1cc(F)ccc1F
InChIInChI=1S/C19H14ClF2NO2S/c20-14-6-4-13(5-7-14)12-26(24,25)19(18-3-1-2-10-23-18)16-11-15(21)8-9-17(16)22/h1-11,19H,12H2
InChIKeyRWFSBMVISXEQNE-UHFFFAOYSA-N
MW393.84 g/mol
LogP4.72
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine

2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine (PubChem CID 142980749) has the molecular formula C19H14ClF2NO2S and a molecular weight of 393.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine
PubChem CID142980749
Molecular FormulaC19H14ClF2NO2S
Molecular Weight393.84 g/mol
Exact Mass393.04
IUPAC Name2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)C(c1ccccn1)c1cc(F)ccc1F
InChIInChI=1S/C19H14ClF2NO2S/c20-14-6-4-13(5-7-14)12-26(24,25)19(18-3-1-2-10-23-18)16-11-15(21)8-9-17(16)22/h1-11,19H,12H2
InChIKeyRWFSBMVISXEQNE-UHFFFAOYSA-N
XLogP4.72
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.84
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine
CID 23114544
2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine
CID 59750846
N-[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]-2-pyridin-2-ylacetamide
CID 58734275
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide
CID 95968872
[6-[[(4-chlorophenyl)-methylidene-oxo-λ6-sulfanyl]-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanamine
CID 142260407
[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl] pyridine-2-carboxylate
CID 141068504
N-[1-(2,5-difluorophenyl)ethyl]-1-pyridin-2-ylethanamine
CID 43202625
2-[(4-fluorophenyl)methylsulfonyl]pyridine
CID 22764648
1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide
CID 97014874
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine
CID 23114561
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine
CID 59750939
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine
CID 23114800

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine (CID 142980749) is 2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine is O=S(=O)(Cc1ccc(Cl)cc1)C(c1ccccn1)c1cc(F)ccc1F.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine?
The InChIKey is RWFSBMVISXEQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO2S/c20-14-6-4-13(5-7-14)12-26(24,25)19(18-3-1-2-10-23-18)16-11-15(21)8-9-17(16)22/h1-11,19H,12H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine?
2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine has a molecular weight of 393.84 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfonyl-(2,5-difluorophenyl)methyl]pyridine is sourced from PubChem (CID 142980749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).