[(E)-3-(benzenesulfonyl)-2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enyl]phosphane

C15H11Cl2F2O2PS — CID 126607225

IUPAC[(E)-3-(benzenesulfonyl)-2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enyl]phosphane
SMILESO=S(=O)(/C=C(\c1cc(Cl)cc(Cl)c1)C(F)(F)P)c1ccccc1
InChIInChI=1S/C15H11Cl2F2O2PS/c16-11-6-10(7-12(17)8-11)14(15(18,19)22)9-23(20,21)13-4-2-1-3-5-13/h1-9H,22H2/b14-9+
InChIKeyXGWOQSXUQDTLSA-NTEUORMPSA-N
MW395.19 g/mol
LogP5.28
Rot. Bonds4

About [(E)-3-(benzenesulfonyl)-2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enyl]phosphane

[(E)-3-(benzenesulfonyl)-2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enyl]phosphane (PubChem CID 126607225) has the molecular formula C15H11Cl2F2O2PS and a molecular weight of 395.19 g/mol. Its IUPAC name is [(E)-3-(benzenesulfonyl)-2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enyl]phosphane.

Molecular Properties

Compound Name[(E)-3-(benzenesulfonyl)-2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enyl]phosphane
PubChem CID126607225
Molecular FormulaC15H11Cl2F2O2PS
Molecular Weight395.19 g/mol
Exact Mass393.96
IUPAC Name[(E)-3-(benzenesulfonyl)-2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enyl]phosphane
SMILESO=S(=O)(/C=C(\c1cc(Cl)cc(Cl)c1)C(F)(F)P)c1ccccc1
InChIInChI=1S/C15H11Cl2F2O2PS/c16-11-6-10(7-12(17)8-11)14(15(18,19)22)9-23(20,21)13-4-2-1-3-5-13/h1-9H,22H2/b14-9+
InChIKeyXGWOQSXUQDTLSA-NTEUORMPSA-N
XLogP5.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.19
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-(benzenesulfonyl)-1-chloroethenyl]-3,5-bis(trifluoromethyl)benzene
CID 154712333
(Z)-2-(3,5-dichlorophenyl)sulfonyl-1-phenylethenolate
CID 134119880
2-chloroprop-1-enylsulfonylbenzene
CID 71326207
(E)-1-(benzenesulfonyl)prop-1-en-2-ol
CID 118410381
1-[1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene
CID 131737199
1-[(E)-1-(benzenesulfinyl)-3,3-difluoropent-1-en-2-yl]-3,5-dichlorobenzene
CID 126607284
[2-(benzenesulfonyl)-1-phenylethenyl]benzene
CID 822356
2-(benzenesulfonyl)ethene-1,1-diamine
CID 21311523
4-(benzenesulfonyl)-1-benzyl-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidine;1-[(E)-1-(benzenesulfonyl)-3,3,3-trifluoroprop-1-en-2-yl]-3,5-dichlorobenzene;N-(methoxymethyl)-1-phenyl-N-(trimethylsilylmethyl)methanamine
CID 160771736
(Z)-1-(1,3-benzothiazol-2-yl)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-2-en-1-one
CID 71042650
3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 110294989
2-(3,5-dichlorophenyl)-3,3,3-trifluoroprop-1-ene-1-sulfinate
CID 123867022

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(benzenesulfonyl)-2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enyl]phosphane?
The IUPAC name of [(E)-3-(benzenesulfonyl)-2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enyl]phosphane (CID 126607225) is [(E)-3-(benzenesulfonyl)-2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enyl]phosphane.
What is the SMILES notation for [(E)-3-(benzenesulfonyl)-2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enyl]phosphane?
The canonical SMILES for [(E)-3-(benzenesulfonyl)-2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enyl]phosphane is O=S(=O)(/C=C(\c1cc(Cl)cc(Cl)c1)C(F)(F)P)c1ccccc1.
What is the InChIKey of [(E)-3-(benzenesulfonyl)-2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enyl]phosphane?
The InChIKey is XGWOQSXUQDTLSA-NTEUORMPSA-N. The full InChI is InChI=1S/C15H11Cl2F2O2PS/c16-11-6-10(7-12(17)8-11)14(15(18,19)22)9-23(20,21)13-4-2-1-3-5-13/h1-9H,22H2/b14-9+.
What are the key properties of [(E)-3-(benzenesulfonyl)-2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enyl]phosphane?
[(E)-3-(benzenesulfonyl)-2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enyl]phosphane has a molecular weight of 395.19 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(benzenesulfonyl)-2-(3,5-dichlorophenyl)-1,1-difluoroprop-2-enyl]phosphane is sourced from PubChem (CID 126607225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).