1-(4-methylphenyl)sulfonyl-3,5-bis(trifluoromethyl)benzene

C15H10F6O2S — CID 2797354

IUPAC1-(4-methylphenyl)sulfonyl-3,5-bis(trifluoromethyl)benzene
SMILESCc1ccc(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H10F6O2S/c1-9-2-4-12(5-3-9)24(22,23)13-7-10(14(16,17)18)6-11(8-13)15(19,20)21/h2-8H,1H3
InChIKeyFEEQJKFOGDLBKJ-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.87
Rot. Bonds2

About 1-(4-methylphenyl)sulfonyl-3,5-bis(trifluoromethyl)benzene

1-(4-methylphenyl)sulfonyl-3,5-bis(trifluoromethyl)benzene (PubChem CID 2797354) has the molecular formula C15H10F6O2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3,5-bis(trifluoromethyl)benzene
PubChem CID2797354
Molecular FormulaC15H10F6O2S
Molecular Weight368.30 g/mol
Exact Mass368.03
IUPAC Name1-(4-methylphenyl)sulfonyl-3,5-bis(trifluoromethyl)benzene
SMILESCc1ccc(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H10F6O2S/c1-9-2-4-12(5-3-9)24(22,23)13-7-10(14(16,17)18)6-11(8-13)15(19,20)21/h2-8H,1H3
InChIKeyFEEQJKFOGDLBKJ-UHFFFAOYSA-N
XLogP4.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3,5-bis(trifluoromethyl)benzene (CID 2797354) is 1-(4-methylphenyl)sulfonyl-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3,5-bis(trifluoromethyl)benzene is Cc1ccc(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3,5-bis(trifluoromethyl)benzene?
The InChIKey is FEEQJKFOGDLBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6O2S/c1-9-2-4-12(5-3-9)24(22,23)13-7-10(14(16,17)18)6-11(8-13)15(19,20)21/h2-8H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3,5-bis(trifluoromethyl)benzene?
1-(4-methylphenyl)sulfonyl-3,5-bis(trifluoromethyl)benzene has a molecular weight of 368.30 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 2797354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).