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

C18H12ClF2NO2S — CID 23028796

IUPAC3-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1cccnc1Cc1cc(F)ccc1F
InChIInChI=1S/C18H12ClF2NO2S/c19-13-3-6-15(7-4-13)25(23,24)18-2-1-9-22-17(18)11-12-10-14(20)5-8-16(12)21/h1-10H,11H2
InChIKeyNZPRBMMUACGTNP-UHFFFAOYSA-N
MW379.82 g/mol
LogP4.44
Rot. Bonds4

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

3-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]pyridine (PubChem CID 23028796) has the molecular formula C18H12ClF2NO2S and a molecular weight of 379.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]pyridine
PubChem CID23028796
Molecular FormulaC18H12ClF2NO2S
Molecular Weight379.82 g/mol
Exact Mass379.02
IUPAC Name3-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1cccnc1Cc1cc(F)ccc1F
InChIInChI=1S/C18H12ClF2NO2S/c19-13-3-6-15(7-4-13)25(23,24)18-2-1-9-22-17(18)11-12-10-14(20)5-8-16(12)21/h1-10H,11H2
InChIKeyNZPRBMMUACGTNP-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]pyridine?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]pyridine (CID 23028796) is 3-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]pyridine is O=S(=O)(c1ccc(Cl)cc1)c1cccnc1Cc1cc(F)ccc1F.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]pyridine?
The InChIKey is NZPRBMMUACGTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2NO2S/c19-13-3-6-15(7-4-13)25(23,24)18-2-1-9-22-17(18)11-12-10-14(20)5-8-16(12)21/h1-10H,11H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]pyridine?
3-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]pyridine has a molecular weight of 379.82 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-2-[(2,5-difluorophenyl)methyl]pyridine is sourced from PubChem (CID 23028796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).