1-[[6-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]-3,6-dihydro-2H-pyridine-4-carbonitrile

C15H12F3N3O2S — CID 154870423

IUPAC1-[[6-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESN#CC1=CCN(S(=O)(=O)c2c[nH]c3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C15H12F3N3O2S/c16-15(17,18)11-1-2-12-13(7-11)20-9-14(12)24(22,23)21-5-3-10(8-19)4-6-21/h1-3,7,9,20H,4-6H2
InChIKeyRTLZDVKQRHCKSL-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.03
Rot. Bonds2

About 1-[[6-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]-3,6-dihydro-2H-pyridine-4-carbonitrile

1-[[6-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]-3,6-dihydro-2H-pyridine-4-carbonitrile (PubChem CID 154870423) has the molecular formula C15H12F3N3O2S and a molecular weight of 355.34 g/mol. Its IUPAC name is 1-[[6-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]-3,6-dihydro-2H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-[[6-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]-3,6-dihydro-2H-pyridine-4-carbonitrile
PubChem CID154870423
Molecular FormulaC15H12F3N3O2S
Molecular Weight355.34 g/mol
Exact Mass355.06
IUPAC Name1-[[6-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESN#CC1=CCN(S(=O)(=O)c2c[nH]c3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C15H12F3N3O2S/c16-15(17,18)11-1-2-12-13(7-11)20-9-14(12)24(22,23)21-5-3-10(8-19)4-6-21/h1-3,7,9,20H,4-6H2
InChIKeyRTLZDVKQRHCKSL-UHFFFAOYSA-N
XLogP3.03
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[6-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]-3,6-dihydro-2H-pyridine-4-carbonitrile 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-dimethyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonamide
CID 174531377
1-(bromomethylsulfonyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 130652131
3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-indol-5-amine
CID 114407791
1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 10566988
methyl-methylidene-oxo-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]-λ6-sulfane
CID 159505276
2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]sulfonylbenzonitrile
CID 24678225
methyl 2-oxo-2-[6-(trifluoromethyl)-1H-indol-3-yl]acetate
CID 11818094
3-[1-(4-tert-butylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086699
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-one
CID 10709847
3-chloro-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]-1H-pyridin-2-one
CID 114490490
4-aminobenzonitrile;6-(trifluoromethyl)-1H-indole-3-sulfinate
CID 160742713
(2S)-2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile
CID 8758003

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]-3,6-dihydro-2H-pyridine-4-carbonitrile?
The IUPAC name of 1-[[6-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]-3,6-dihydro-2H-pyridine-4-carbonitrile (CID 154870423) is 1-[[6-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]-3,6-dihydro-2H-pyridine-4-carbonitrile.
What is the SMILES notation for 1-[[6-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]-3,6-dihydro-2H-pyridine-4-carbonitrile?
The canonical SMILES for 1-[[6-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]-3,6-dihydro-2H-pyridine-4-carbonitrile is N#CC1=CCN(S(=O)(=O)c2c[nH]c3cc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of 1-[[6-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]-3,6-dihydro-2H-pyridine-4-carbonitrile?
The InChIKey is RTLZDVKQRHCKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S/c16-15(17,18)11-1-2-12-13(7-11)20-9-14(12)24(22,23)21-5-3-10(8-19)4-6-21/h1-3,7,9,20H,4-6H2.
What are the key properties of 1-[[6-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]-3,6-dihydro-2H-pyridine-4-carbonitrile?
1-[[6-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]-3,6-dihydro-2H-pyridine-4-carbonitrile has a molecular weight of 355.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(trifluoromethyl)-1H-indol-3-yl]sulfonyl]-3,6-dihydro-2H-pyridine-4-carbonitrile is sourced from PubChem (CID 154870423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).