1-phenyl-3-(trifluoromethylsulfonyl)indole

C15H10F3NO2S — CID 71715571

IUPAC1-phenyl-3-(trifluoromethylsulfonyl)indole
SMILESO=S(=O)(c1cn(-c2ccccc2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C15H10F3NO2S/c16-15(17,18)22(20,21)14-10-19(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14/h1-10H
InChIKeyGIDQHVFGPCQWGD-UHFFFAOYSA-N
MW325.31 g/mol
LogP3.92
Rot. Bonds2

About 1-phenyl-3-(trifluoromethylsulfonyl)indole

1-phenyl-3-(trifluoromethylsulfonyl)indole (PubChem CID 71715571) has the molecular formula C15H10F3NO2S and a molecular weight of 325.31 g/mol. Its IUPAC name is 1-phenyl-3-(trifluoromethylsulfonyl)indole.

Molecular Properties

Compound Name1-phenyl-3-(trifluoromethylsulfonyl)indole
PubChem CID71715571
Molecular FormulaC15H10F3NO2S
Molecular Weight325.31 g/mol
Exact Mass325.04
IUPAC Name1-phenyl-3-(trifluoromethylsulfonyl)indole
SMILESO=S(=O)(c1cn(-c2ccccc2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C15H10F3NO2S/c16-15(17,18)22(20,21)14-10-19(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14/h1-10H
InChIKeyGIDQHVFGPCQWGD-UHFFFAOYSA-N
XLogP3.92
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-3-(trifluoromethylsulfonyl)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

1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole
CID 59307614
2-(trifluoromethylsulfonyl)phenol
CID 15731663
1-phenyl-3-[2-[3-[2-(1-phenylindol-3-yl)propan-2-yl]phenyl]propan-2-yl]indole
CID 59307596
2-methyl-2-(1-methylindol-3-yl)sulfonylpropan-1-ol
CID 116855264
naphthalen-1-yl-(1-phenylindol-3-yl)methanone
CID 175269480
1-pyridin-3-ylindole-3-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 160804799
2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol
CID 69354935
2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride
CID 146167636
methyl 1-[3-(trifluoromethyl)phenyl]indole-3-carboxylate
CID 24895075
2-[1-(4-methylphenyl)indol-3-yl]propan-2-ol
CID 175094340
3-tert-butylsulfonyl-4-hydroxy-1-methylquinolin-2-one
CID 54699342
1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium
CID 159777789

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(trifluoromethylsulfonyl)indole?
The IUPAC name of 1-phenyl-3-(trifluoromethylsulfonyl)indole (CID 71715571) is 1-phenyl-3-(trifluoromethylsulfonyl)indole.
What is the SMILES notation for 1-phenyl-3-(trifluoromethylsulfonyl)indole?
The canonical SMILES for 1-phenyl-3-(trifluoromethylsulfonyl)indole is O=S(=O)(c1cn(-c2ccccc2)c2ccccc12)C(F)(F)F.
What is the InChIKey of 1-phenyl-3-(trifluoromethylsulfonyl)indole?
The InChIKey is GIDQHVFGPCQWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2S/c16-15(17,18)22(20,21)14-10-19(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14/h1-10H.
What are the key properties of 1-phenyl-3-(trifluoromethylsulfonyl)indole?
1-phenyl-3-(trifluoromethylsulfonyl)indole has a molecular weight of 325.31 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(trifluoromethylsulfonyl)indole is sourced from PubChem (CID 71715571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).