2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline

C13H14F6N2O2S — CID 170459185

IUPAC2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)cc1C(F)(F)F
InChIInChI=1S/C13H14F6N2O2S/c14-12(15,16)8-2-1-5-21(7-8)24(22,23)9-3-4-11(20)10(6-9)13(17,18)19/h3-4,6,8H,1-2,5,7,20H2
InChIKeyQDRKZHJKXABIRG-UHFFFAOYSA-N
MW376.32 g/mol
LogP3.25
Rot. Bonds2

About 2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline

2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline (PubChem CID 170459185) has the molecular formula C13H14F6N2O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline.

Molecular Properties

Compound Name2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
PubChem CID170459185
Molecular FormulaC13H14F6N2O2S
Molecular Weight376.32 g/mol
Exact Mass376.07
IUPAC Name2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)cc1C(F)(F)F
InChIInChI=1S/C13H14F6N2O2S/c14-12(15,16)8-2-1-5-21(7-8)24(22,23)9-3-4-11(20)10(6-9)13(17,18)19/h3-4,6,8H,1-2,5,7,20H2
InChIKeyQDRKZHJKXABIRG-UHFFFAOYSA-N
XLogP3.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline 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

4-(3-methylpiperidin-1-yl)sulfonyl-2-(trifluoromethyl)aniline
CID 170459184
4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 61126081
(3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine
CID 2082096
1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 2928083
3-fluoro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 63322882
4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline
CID 3619797
4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47006010
1-(2-tert-butyl-4-methylphenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 70913404
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 18170878
tert-butyl (2R)-4-[4-amino-3-(trifluoromethyl)phenyl]sulfonyl-2-methylpiperazine-1-carboxylate
CID 170459178
5-(3-aminopiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzonitrile;hydrochloride
CID 120998766
1-(4-bromophenyl)sulfonyl-3-(trifluoromethyl)pyrrolidine
CID 122530637

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline?
The IUPAC name of 2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline (CID 170459185) is 2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline.
What is the SMILES notation for 2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline?
The canonical SMILES for 2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline is Nc1ccc(S(=O)(=O)N2CCCC(C(F)(F)F)C2)cc1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline?
The InChIKey is QDRKZHJKXABIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F6N2O2S/c14-12(15,16)8-2-1-5-21(7-8)24(22,23)9-3-4-11(20)10(6-9)13(17,18)19/h3-4,6,8H,1-2,5,7,20H2.
What are the key properties of 2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline?
2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline has a molecular weight of 376.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline is sourced from PubChem (CID 170459185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).