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

C25H18ClF3O4S — CID 72501635

IUPAC[3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone
SMILESCc1ccc(S(=O)(=O)C2=C(C(F)(F)F)OC(C(=O)c3ccccc3)C2c2cccc(Cl)c2)cc1
InChIInChI=1S/C25H18ClF3O4S/c1-15-10-12-19(13-11-15)34(31,32)23-20(17-8-5-9-18(26)14-17)22(33-24(23)25(27,28)29)21(30)16-6-3-2-4-7-16/h2-14,20,22H,1H3
InChIKeyDPSKBLPXQKUNPE-UHFFFAOYSA-N
MW506.93 g/mol
LogP6.26
Rot. Bonds5

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

[3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone (PubChem CID 72501635) has the molecular formula C25H18ClF3O4S and a molecular weight of 506.93 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone
PubChem CID72501635
Molecular FormulaC25H18ClF3O4S
Molecular Weight506.93 g/mol
Exact Mass506.06
IUPAC Name[3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone
SMILESCc1ccc(S(=O)(=O)C2=C(C(F)(F)F)OC(C(=O)c3ccccc3)C2c2cccc(Cl)c2)cc1
InChIInChI=1S/C25H18ClF3O4S/c1-15-10-12-19(13-11-15)34(31,32)23-20(17-8-5-9-18(26)14-17)22(33-24(23)25(27,28)29)21(30)16-6-3-2-4-7-16/h2-14,20,22H,1H3
InChIKeyDPSKBLPXQKUNPE-UHFFFAOYSA-N
XLogP6.26
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.93
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3S)-3-(4-methylphenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone
CID 59052377
[(2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone
CID 59052517
[(2R,3S)-3-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone
CID 59052520
methyl (2R,3S)-3-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carboxylate
CID 59052805
[(2R,3S)-3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone
CID 59052806
methyl (2R,3S)-3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carboxylate
CID 59052807
[3-(4-Methylphenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone
CID 72501384
[4-(4-Methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone
CID 72501455
[3-(4-Chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone
CID 72501458
Methyl 3-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carboxylate
CID 72501634
Methyl 3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carboxylate
CID 72501636
[(2R,3S)-4-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)sulfonyl-3,5-diphenyl-2,3-dihydrofuran-2-yl]-phenylmethanone
CID 11169550

Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone?
The IUPAC name of [3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone (CID 72501635) is [3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone?
The canonical SMILES for [3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone is Cc1ccc(S(=O)(=O)C2=C(C(F)(F)F)OC(C(=O)c3ccccc3)C2c2cccc(Cl)c2)cc1.
What is the InChIKey of [3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone?
The InChIKey is DPSKBLPXQKUNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF3O4S/c1-15-10-12-19(13-11-15)34(31,32)23-20(17-8-5-9-18(26)14-17)22(33-24(23)25(27,28)29)21(30)16-6-3-2-4-7-16/h2-14,20,22H,1H3.
What are the key properties of [3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone?
[3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone has a molecular weight of 506.93 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-4-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-yl]-phenylmethanone is sourced from PubChem (CID 72501635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).