1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene

C14H11F3O2S — CID 25017943

IUPAC1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H11F3O2S/c1-10-2-6-12(7-3-10)20(18,19)13-8-4-11(5-9-13)14(15,16)17/h2-9H,1H3
InChIKeyRFUZMQWKARVRAV-UHFFFAOYSA-N
MW300.30 g/mol
LogP3.85
Rot. Bonds2

About 1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene

1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene (PubChem CID 25017943) has the molecular formula C14H11F3O2S and a molecular weight of 300.30 g/mol. Its IUPAC name is 1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene.

Molecular Properties

Compound Name1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene
PubChem CID25017943
Molecular FormulaC14H11F3O2S
Molecular Weight300.30 g/mol
Exact Mass300.04
IUPAC Name1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H11F3O2S/c1-10-2-6-12(7-3-10)20(18,19)13-8-4-11(5-9-13)14(15,16)17/h2-9H,1H3
InChIKeyRFUZMQWKARVRAV-UHFFFAOYSA-N
XLogP3.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
1-methyl-4-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]benzene
CID 177388771
methanol;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 157486771
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
methanamine;bis(1-methyl-4-(4-methylphenyl)sulfonylbenzene)
CID 23341933
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 59165224
1-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene
CID 59008627
4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]imidazole
CID 138377314

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene?
The IUPAC name of 1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene (CID 25017943) is 1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene.
What is the SMILES notation for 1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene?
The canonical SMILES for 1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene is Cc1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene?
The InChIKey is RFUZMQWKARVRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2S/c1-10-2-6-12(7-3-10)20(18,19)13-8-4-11(5-9-13)14(15,16)17/h2-9H,1H3.
What are the key properties of 1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene?
1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene has a molecular weight of 300.30 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylbenzene is sourced from PubChem (CID 25017943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).