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

C19H14ClF2NO2S — CID 23028593

IUPAC3-[2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)ethyl]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)C(Cc1cccnc1)c1cc(F)ccc1F
InChIInChI=1S/C19H14ClF2NO2S/c20-14-3-6-16(7-4-14)26(24,25)19(10-13-2-1-9-23-12-13)17-11-15(21)5-8-18(17)22/h1-9,11-12,19H,10H2
InChIKeyVETJSZCVGISVNP-UHFFFAOYSA-N
MW393.84 g/mol
LogP4.77
Rot. Bonds5

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

3-[2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)ethyl]pyridine (PubChem CID 23028593) has the molecular formula C19H14ClF2NO2S and a molecular weight of 393.84 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)ethyl]pyridine.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)ethyl]pyridine
PubChem CID23028593
Molecular FormulaC19H14ClF2NO2S
Molecular Weight393.84 g/mol
Exact Mass393.04
IUPAC Name3-[2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)ethyl]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)C(Cc1cccnc1)c1cc(F)ccc1F
InChIInChI=1S/C19H14ClF2NO2S/c20-14-3-6-16(7-4-14)26(24,25)19(10-13-2-1-9-23-12-13)17-11-15(21)5-8-18(17)22/h1-9,11-12,19H,10H2
InChIKeyVETJSZCVGISVNP-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)ethyl]pyridine?
The IUPAC name of 3-[2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)ethyl]pyridine (CID 23028593) is 3-[2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)ethyl]pyridine.
What is the SMILES notation for 3-[2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)ethyl]pyridine?
The canonical SMILES for 3-[2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)ethyl]pyridine is O=S(=O)(c1ccc(Cl)cc1)C(Cc1cccnc1)c1cc(F)ccc1F.
What is the InChIKey of 3-[2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)ethyl]pyridine?
The InChIKey is VETJSZCVGISVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO2S/c20-14-3-6-16(7-4-14)26(24,25)19(10-13-2-1-9-23-12-13)17-11-15(21)5-8-18(17)22/h1-9,11-12,19H,10H2.
What are the key properties of 3-[2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)ethyl]pyridine?
3-[2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)ethyl]pyridine has a molecular weight of 393.84 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)ethyl]pyridine is sourced from PubChem (CID 23028593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).