1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene

C15H11Cl2FO2S — CID 54262996

IUPAC1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
SMILESO=S(=O)(C=Cc1ccc(F)cc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FO2S/c16-14-6-3-12(9-15(14)17)10-21(19,20)8-7-11-1-4-13(18)5-2-11/h1-9H,10H2
InChIKeyREUWELJYINLTOJ-UHFFFAOYSA-N
MW345.22 g/mol
LogP4.72
Rot. Bonds4

About 1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene

1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene (PubChem CID 54262996) has the molecular formula C15H11Cl2FO2S and a molecular weight of 345.22 g/mol. Its IUPAC name is 1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
PubChem CID54262996
Molecular FormulaC15H11Cl2FO2S
Molecular Weight345.22 g/mol
Exact Mass343.98
IUPAC Name1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
SMILESO=S(=O)(C=Cc1ccc(F)cc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2FO2S/c16-14-6-3-12(9-15(14)17)10-21(19,20)8-7-11-1-4-13(18)5-2-11/h1-9H,10H2
InChIKeyREUWELJYINLTOJ-UHFFFAOYSA-N
XLogP4.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene
CID 5388092
2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
CID 173204022
1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene
CID 14087488
1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene
CID 54452495
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan
CID 173247017
N-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 5049384
1-(3,4-dichlorophenyl)-N-ethyl-N-(4-fluorophenyl)methanesulfonamide
CID 56512863
(3,4-dichlorophenyl) (4-fluorophenyl)methanesulfonate
CID 32673387
(E)-2-(4-fluorophenyl)ethenesulfonamide
CID 22750880
4-[(3,4-dichlorophenyl)methylsulfonyl]-2-(4-fluorophenyl)morpholine
CID 56581847
1-bromo-4-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylmethyl]benzene
CID 91375961

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene?
The IUPAC name of 1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene (CID 54262996) is 1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene is O=S(=O)(C=Cc1ccc(F)cc1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene?
The InChIKey is REUWELJYINLTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2S/c16-14-6-3-12(9-15(14)17)10-21(19,20)8-7-11-1-4-13(18)5-2-11/h1-9H,10H2.
What are the key properties of 1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene?
1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene has a molecular weight of 345.22 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene is sourced from PubChem (CID 54262996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).