2-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]-phenylphosphoryl]-3-methylpyridine

C26H22NO3PS — CID 155666559

IUPAC2-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]-phenylphosphoryl]-3-methylpyridine
SMILESCc1cccnc1P(=O)(c1ccccc1)c1ccccc1/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H22NO3PS/c1-21-11-10-19-27-26(21)31(28,23-13-4-2-5-14-23)25-17-9-8-12-22(25)18-20-32(29,30)24-15-6-3-7-16-24/h2-20H,1H3/b20-18+
InChIKeySFAJTYSPXQWGDA-CZIZESTLSA-N
MW459.51 g/mol
LogP4.47
Rot. Bonds6

About 2-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]-phenylphosphoryl]-3-methylpyridine

2-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]-phenylphosphoryl]-3-methylpyridine (PubChem CID 155666559) has the molecular formula C26H22NO3PS and a molecular weight of 459.51 g/mol. Its IUPAC name is 2-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]-phenylphosphoryl]-3-methylpyridine.

Molecular Properties

Compound Name2-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]-phenylphosphoryl]-3-methylpyridine
PubChem CID155666559
Molecular FormulaC26H22NO3PS
Molecular Weight459.51 g/mol
Exact Mass459.11
IUPAC Name2-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]-phenylphosphoryl]-3-methylpyridine
SMILESCc1cccnc1P(=O)(c1ccccc1)c1ccccc1/C=C/S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H22NO3PS/c1-21-11-10-19-27-26(21)31(28,23-13-4-2-5-14-23)25-17-9-8-12-22(25)18-20-32(29,30)24-15-6-3-7-16-24/h2-20H,1H3/b20-18+
InChIKeySFAJTYSPXQWGDA-CZIZESTLSA-N
XLogP4.47
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[[2,3-bis(ethenyl)phenyl]-phenylphosphoryl]-2-ethenyl-3-methylbenzene
CID 145199166
ethyl 3-[2-[phenyl(pyridin-2-yl)phosphoryl]phenyl]prop-2-enoate
CID 155666561
[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
3-[(E)-2-(benzenesulfonyl)ethenyl]pyridine
CID 11817425
[(E)-2-(2-methylphenyl)ethenyl]-triphenyl-λ4-sulfane
CID 167289774
2-diphenylphosphorylpyridine
CID 3496437
1-(2-diphenylphosphorylphenyl)-2-methylbenzene
CID 15531741
lithium;2-(2-diphenylphosphoryl-3-pyridinyl)phenol;hydride
CID 174819292
1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene
CID 175536541
2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine
CID 162664955
1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 150421985
1-[2-(benzenesulfonyl)ethenyl]-4-fluorobenzene
CID 78131907

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]-phenylphosphoryl]-3-methylpyridine?
The IUPAC name of 2-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]-phenylphosphoryl]-3-methylpyridine (CID 155666559) is 2-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]-phenylphosphoryl]-3-methylpyridine.
What is the SMILES notation for 2-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]-phenylphosphoryl]-3-methylpyridine?
The canonical SMILES for 2-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]-phenylphosphoryl]-3-methylpyridine is Cc1cccnc1P(=O)(c1ccccc1)c1ccccc1/C=C/S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]-phenylphosphoryl]-3-methylpyridine?
The InChIKey is SFAJTYSPXQWGDA-CZIZESTLSA-N. The full InChI is InChI=1S/C26H22NO3PS/c1-21-11-10-19-27-26(21)31(28,23-13-4-2-5-14-23)25-17-9-8-12-22(25)18-20-32(29,30)24-15-6-3-7-16-24/h2-20H,1H3/b20-18+.
What are the key properties of 2-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]-phenylphosphoryl]-3-methylpyridine?
2-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]-phenylphosphoryl]-3-methylpyridine has a molecular weight of 459.51 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]-phenylphosphoryl]-3-methylpyridine is sourced from PubChem (CID 155666559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).