1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene

C17H15F3O2S — CID 138971767

IUPAC1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene
SMILESC=C(CS(=O)(=O)c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3O2S/c1-12-3-9-16(10-4-12)23(21,22)11-13(2)14-5-7-15(8-6-14)17(18,19)20/h3-10H,2,11H2,1H3
InChIKeyZAPDAPUTOYMIKU-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.50
Rot. Bonds4

About 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene

1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene (PubChem CID 138971767) has the molecular formula C17H15F3O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene
PubChem CID138971767
Molecular FormulaC17H15F3O2S
Molecular Weight340.37 g/mol
Exact Mass340.07
IUPAC Name1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene
SMILESC=C(CS(=O)(=O)c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3O2S/c1-12-3-9-16(10-4-12)23(21,22)11-13(2)14-5-7-15(8-6-14)17(18,19)20/h3-10H,2,11H2,1H3
InChIKeyZAPDAPUTOYMIKU-UHFFFAOYSA-N
XLogP4.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]benzene
CID 177388771
1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene
CID 25017943
1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 101368482
[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl] 4-methylbenzenesulfonate
CID 139248913
(NE)-4-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 134997728
1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfonylethanone
CID 102266574
2-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3686927
1-phenyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylethanone
CID 175018322
1-[3-(benzenesulfonyl)prop-1-en-2-yl]-4-fluorobenzene
CID 14580172
[4-(trifluoromethyl)phenyl]methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 55443512
4-methyl-N-[(Z)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide
CID 102442285
2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 53381751

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene?
The IUPAC name of 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene (CID 138971767) is 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene.
What is the SMILES notation for 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene?
The canonical SMILES for 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene is C=C(CS(=O)(=O)c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene?
The InChIKey is ZAPDAPUTOYMIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O2S/c1-12-3-9-16(10-4-12)23(21,22)11-13(2)14-5-7-15(8-6-14)17(18,19)20/h3-10H,2,11H2,1H3.
What are the key properties of 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene?
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene has a molecular weight of 340.37 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene is sourced from PubChem (CID 138971767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).