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

C18H12ClF2NO2S — CID 23028676

IUPAC2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)C(c1ccccn1)c1cc(F)ccc1F
InChIInChI=1S/C18H12ClF2NO2S/c19-12-4-7-14(8-5-12)25(23,24)18(17-3-1-2-10-22-17)15-11-13(20)6-9-16(15)21/h1-11,18H
InChIKeyOLZKWBLXDXCQIJ-UHFFFAOYSA-N
MW379.82 g/mol
LogP4.58
Rot. Bonds4

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

2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine (PubChem CID 23028676) has the molecular formula C18H12ClF2NO2S and a molecular weight of 379.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine
PubChem CID23028676
Molecular FormulaC18H12ClF2NO2S
Molecular Weight379.82 g/mol
Exact Mass379.02
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)C(c1ccccn1)c1cc(F)ccc1F
InChIInChI=1S/C18H12ClF2NO2S/c19-12-4-7-14(8-5-12)25(23,24)18(17-3-1-2-10-22-17)15-11-13(20)6-9-16(15)21/h1-11,18H
InChIKeyOLZKWBLXDXCQIJ-UHFFFAOYSA-N
XLogP4.58
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine (CID 23028676) is 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine is O=S(=O)(c1ccc(Cl)cc1)C(c1ccccn1)c1cc(F)ccc1F.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine?
The InChIKey is OLZKWBLXDXCQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2NO2S/c19-12-4-7-14(8-5-12)25(23,24)18(17-3-1-2-10-22-17)15-11-13(20)6-9-16(15)21/h1-11,18H.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine?
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine has a molecular weight of 379.82 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine is sourced from PubChem (CID 23028676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).