2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine

C25H17ClF2N2O2S — CID 23114544

IUPAC2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)C(c1cccc(/C=C/c2ccccn2)n1)c1cc(F)ccc1F
InChIInChI=1S/C25H17ClF2N2O2S/c26-17-7-12-21(13-8-17)33(31,32)25(22-16-18(27)9-14-23(22)28)24-6-3-5-20(30-24)11-10-19-4-1-2-15-29-19/h1-16,25H/b11-10+
InChIKeyVYWKBHLPSBBTNV-ZHACJKMWSA-N
MW482.94 g/mol
LogP6.14
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine

2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine (PubChem CID 23114544) has the molecular formula C25H17ClF2N2O2S and a molecular weight of 482.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine
PubChem CID23114544
Molecular FormulaC25H17ClF2N2O2S
Molecular Weight482.94 g/mol
Exact Mass482.07
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)C(c1cccc(/C=C/c2ccccn2)n1)c1cc(F)ccc1F
InChIInChI=1S/C25H17ClF2N2O2S/c26-17-7-12-21(13-8-17)33(31,32)25(22-16-18(27)9-14-23(22)28)24-6-3-5-20(30-24)11-10-19-4-1-2-15-29-19/h1-16,25H/b11-10+
InChIKeyVYWKBHLPSBBTNV-ZHACJKMWSA-N
XLogP6.14
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.94
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine (CID 23114544) is 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine is O=S(=O)(c1ccc(Cl)cc1)C(c1cccc(/C=C/c2ccccn2)n1)c1cc(F)ccc1F.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine?
The InChIKey is VYWKBHLPSBBTNV-ZHACJKMWSA-N. The full InChI is InChI=1S/C25H17ClF2N2O2S/c26-17-7-12-21(13-8-17)33(31,32)25(22-16-18(27)9-14-23(22)28)24-6-3-5-20(30-24)11-10-19-4-1-2-15-29-19/h1-16,25H/b11-10+.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine?
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine has a molecular weight of 482.94 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine is sourced from PubChem (CID 23114544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).