[4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone

C25H19F3O4S — CID 72501455

IUPAC[4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone
SMILESCc1ccc(S(=O)(=O)C2=C(C(F)(F)F)OC(C(=O)c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C25H19F3O4S/c1-16-12-14-19(15-13-16)33(30,31)23-20(17-8-4-2-5-9-17)22(32-24(23)25(26,27)28)21(29)18-10-6-3-7-11-18/h2-15,20,22H,1H3
InChIKeyLAXZWQIPAZGOBY-UHFFFAOYSA-N
MW472.48 g/mol
LogP5.61
Rot. Bonds5

About [4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone

[4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone (PubChem CID 72501455) has the molecular formula C25H19F3O4S and a molecular weight of 472.48 g/mol. Its IUPAC name is [4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone
PubChem CID72501455
Molecular FormulaC25H19F3O4S
Molecular Weight472.48 g/mol
Exact Mass472.10
IUPAC Name[4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone
SMILESCc1ccc(S(=O)(=O)C2=C(C(F)(F)F)OC(C(=O)c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C25H19F3O4S/c1-16-12-14-19(15-13-16)33(30,31)23-20(17-8-4-2-5-9-17)22(32-24(23)25(26,27)28)21(29)18-10-6-3-7-11-18/h2-15,20,22H,1H3
InChIKeyLAXZWQIPAZGOBY-UHFFFAOYSA-N
XLogP5.61
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.48
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone?
The IUPAC name of [4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone (CID 72501455) is [4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone.
What is the SMILES notation for [4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone?
The canonical SMILES for [4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone is Cc1ccc(S(=O)(=O)C2=C(C(F)(F)F)OC(C(=O)c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of [4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone?
The InChIKey is LAXZWQIPAZGOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3O4S/c1-16-12-14-19(15-13-16)33(30,31)23-20(17-8-4-2-5-9-17)22(32-24(23)25(26,27)28)21(29)18-10-6-3-7-11-18/h2-15,20,22H,1H3.
What are the key properties of [4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone?
[4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone has a molecular weight of 472.48 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone is sourced from PubChem (CID 72501455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).