2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide

C34H25F6NO6S3 — CID 173253581

IUPAC2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1cc(C(F)(F)F)c(-c2ccccc2S(C)(=O)=O)c(-c2ccccc2S(N)(=O)=O)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C34H25F6NO6S3/c1-48(42,43)27-16-8-4-11-20(27)24-19-26(34(38,39)40)31(22-13-5-9-17-28(22)49(2,44)45)32(23-14-6-10-18-29(23)50(41,46)47)30(24)21-12-3-7-15-25(21)33(35,36)37/h3-19H,1-2H3,(H2,41,46,47)
InChIKeyKOGSNVKUDZYXCE-UHFFFAOYSA-N
MW753.76 g/mol
LogP7.85
Rot. Bonds7

About 2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide

2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide (PubChem CID 173253581) has the molecular formula C34H25F6NO6S3 and a molecular weight of 753.76 g/mol. Its IUPAC name is 2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
PubChem CID173253581
Molecular FormulaC34H25F6NO6S3
Molecular Weight753.76 g/mol
Exact Mass753.07
IUPAC Name2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccccc1-c1cc(C(F)(F)F)c(-c2ccccc2S(C)(=O)=O)c(-c2ccccc2S(N)(=O)=O)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C34H25F6NO6S3/c1-48(42,43)27-16-8-4-11-20(27)24-19-26(34(38,39)40)31(22-13-5-9-17-28(22)49(2,44)45)32(23-14-6-10-18-29(23)50(41,46)47)30(24)21-12-3-7-15-25(21)33(35,36)37/h3-19H,1-2H3,(H2,41,46,47)
InChIKeyKOGSNVKUDZYXCE-UHFFFAOYSA-N
XLogP7.85
TPSA128.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.76
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide 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

2-(3-methylsulfonylphenyl)-5-[4-[2-methylsulfonyl-4-(2-sulfamoylphenyl)phenyl]-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 173253583
2-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 140584359
2-[2-[3,5-dimethoxy-4-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 23217411
7-hydroxy-2,4-bis[2-(trifluoromethyl)phenyl]naphthalene-1,3-disulfonamide
CID 87678673
1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole
CID 174549054
4-N-methyl-6-methylsulfonyl-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 15983717
anthracene-9,10-dione;2-(trifluoromethyl)benzenesulfonic acid
CID 175120029
2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 68939881
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide
CID 67653991
1,2,4,5-tetrafluoro-3-methyl-6-[2-(trifluoromethyl)phenyl]benzene
CID 134628456
2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide
CID 23217294

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
The IUPAC name of 2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide (CID 173253581) is 2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide is CS(=O)(=O)c1ccccc1-c1cc(C(F)(F)F)c(-c2ccccc2S(C)(=O)=O)c(-c2ccccc2S(N)(=O)=O)c1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
The InChIKey is KOGSNVKUDZYXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25F6NO6S3/c1-48(42,43)27-16-8-4-11-20(27)24-19-26(34(38,39)40)31(22-13-5-9-17-28(22)49(2,44)45)32(23-14-6-10-18-29(23)50(41,46)47)30(24)21-12-3-7-15-25(21)33(35,36)37/h3-19H,1-2H3,(H2,41,46,47).
What are the key properties of 2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide?
2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide has a molecular weight of 753.76 g/mol, XLogP of 7.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 173253581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).