2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene

C15H11ClF2O2S — CID 173204022

IUPAC2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
SMILESO=S(=O)(C=Cc1ccc(F)cc1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H11ClF2O2S/c16-15-9-14(18)6-3-12(15)10-21(19,20)8-7-11-1-4-13(17)5-2-11/h1-9H,10H2
InChIKeyQQRPIBAAGKZNPG-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.20
Rot. Bonds4

About 2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene

2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene (PubChem CID 173204022) has the molecular formula C15H11ClF2O2S and a molecular weight of 328.77 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene.

Molecular Properties

Compound Name2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
PubChem CID173204022
Molecular FormulaC15H11ClF2O2S
Molecular Weight328.77 g/mol
Exact Mass328.01
IUPAC Name2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
SMILESO=S(=O)(C=Cc1ccc(F)cc1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H11ClF2O2S/c16-15-9-14(18)6-3-12(15)10-21(19,20)8-7-11-1-4-13(17)5-2-11/h1-9H,10H2
InChIKeyQQRPIBAAGKZNPG-UHFFFAOYSA-N
XLogP4.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
CID 54262996
1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene
CID 14087488
2-chloro-1-(chloromethyl)-4-fluorobenzene;(2-chloro-4-fluorophenyl)methanesulfonyl chloride
CID 159873600
(E)-2-(4-fluorophenyl)ethenesulfonamide
CID 22750880
1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene
CID 54452495
2,4-dichloro-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzene
CID 173119979
(E)-N-(2-chloro-4-fluorophenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 60533207
2-[(2-chloro-4-fluorophenyl)methylsulfonyl]pyridine
CID 47038670
5-chloro-2-[2-(3-chlorophenyl)ethenylsulfonylmethyl]aniline
CID 173194005
3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan
CID 173247017
1,4-bis(2-ethylsulfonylethenyl)benzene
CID 57028343
(2S)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-methylpropanamide
CID 51946888

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene?
The IUPAC name of 2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene (CID 173204022) is 2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene.
What is the SMILES notation for 2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene?
The canonical SMILES for 2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene is O=S(=O)(C=Cc1ccc(F)cc1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene?
The InChIKey is QQRPIBAAGKZNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O2S/c16-15-9-14(18)6-3-12(15)10-21(19,20)8-7-11-1-4-13(17)5-2-11/h1-9H,10H2.
What are the key properties of 2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene?
2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene has a molecular weight of 328.77 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene is sourced from PubChem (CID 173204022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).