2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole

C25H22F3NO2S — CID 141293462

IUPAC2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole
SMILESCC(C)c1ccc(S(=O)(=O)n2c(Cc3ccccc3)cc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C25H22F3NO2S/c1-17(2)19-8-11-23(12-9-19)32(30,31)29-22(14-18-6-4-3-5-7-18)16-20-15-21(25(26,27)28)10-13-24(20)29/h3-13,15-17H,14H2,1-2H3
InChIKeyAXBNVLZTGRNGDE-UHFFFAOYSA-N
MW457.52 g/mol
LogP6.61
Rot. Bonds5

About 2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole

2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole (PubChem CID 141293462) has the molecular formula C25H22F3NO2S and a molecular weight of 457.52 g/mol. Its IUPAC name is 2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole.

Molecular Properties

Compound Name2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole
PubChem CID141293462
Molecular FormulaC25H22F3NO2S
Molecular Weight457.52 g/mol
Exact Mass457.13
IUPAC Name2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole
SMILESCC(C)c1ccc(S(=O)(=O)n2c(Cc3ccccc3)cc3cc(C(F)(F)F)ccc32)cc1
InChIInChI=1S/C25H22F3NO2S/c1-17(2)19-8-11-23(12-9-19)32(30,31)29-22(14-18-6-4-3-5-7-18)16-20-15-21(25(26,27)28)10-13-24(20)29/h3-13,15-17H,14H2,1-2H3
InChIKeyAXBNVLZTGRNGDE-UHFFFAOYSA-N
XLogP6.61
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.52
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole 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

N,N-dibenzyl-2-[1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]ethanamine
CID 101493083
3-[[1-(3-tert-butylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]methyl]benzoic acid
CID 70664529
2-benzyl-1-(4-methylphenyl)sulfonylindole
CID 139092275
methyl 4-[1-(3-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]butanoate
CID 44600156
4-[[1-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)sulfonyl]-5-(trifluoromethyl)indol-2-yl]methyl]benzoic acid
CID 70662856
5-bromo-2-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylindole
CID 135298225
2-fluoro-5-[[1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]-5-(trifluoromethyl)indol-2-yl]methyl]benzoic acid
CID 70662863
methyl 3-[1-(benzenesulfonyl)-5-[4-(trifluoromethyl)phenyl]indol-2-yl]propanoate
CID 68677015
1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole
CID 139760319
3-[1-(4-fluorophenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]-2-methylbenzoic acid
CID 151258479
5-[[1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]-5-(trifluoromethyl)indol-2-yl]methyl]thiophene-2-carboxylic acid
CID 70662923
methyl 3-[1-(4-morpholin-4-ylsulfonylphenyl)sulfonyl-5-(trifluoromethyl)indol-2-yl]propanoate
CID 68675996

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole?
The IUPAC name of 2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole (CID 141293462) is 2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole.
What is the SMILES notation for 2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole?
The canonical SMILES for 2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole is CC(C)c1ccc(S(=O)(=O)n2c(Cc3ccccc3)cc3cc(C(F)(F)F)ccc32)cc1.
What is the InChIKey of 2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole?
The InChIKey is AXBNVLZTGRNGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3NO2S/c1-17(2)19-8-11-23(12-9-19)32(30,31)29-22(14-18-6-4-3-5-7-18)16-20-15-21(25(26,27)28)10-13-24(20)29/h3-13,15-17H,14H2,1-2H3.
What are the key properties of 2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole?
2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole has a molecular weight of 457.52 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole is sourced from PubChem (CID 141293462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).