4-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzenesulfonamide

C16H15F3N2O2S — CID 164550207

IUPAC4-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2CCc3cc(C(F)(F)F)ccc3N2)cc1
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)12-4-8-15-11(9-12)3-7-14(21-15)10-1-5-13(6-2-10)24(20,22)23/h1-2,4-6,8-9,14,21H,3,7H2,(H2,20,22,23)
InChIKeyYPPKIXXHAONTSD-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.45
Rot. Bonds2

About 4-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzenesulfonamide

4-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzenesulfonamide (PubChem CID 164550207) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is 4-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzenesulfonamide
PubChem CID164550207
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC Name4-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2CCc3cc(C(F)(F)F)ccc3N2)cc1
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)12-4-8-15-11(9-12)3-7-14(21-15)10-1-5-13(6-2-10)24(20,22)23/h1-2,4-6,8-9,14,21H,3,7H2,(H2,20,22,23)
InChIKeyYPPKIXXHAONTSD-UHFFFAOYSA-N
XLogP3.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 102598226
5-tert-butyl-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 4984250
(2S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 142935353
2-(3,4-difluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 5187034
2-(4-tert-butylphenyl)-6-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 10807358
2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 4657850
S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine
CID 170390923
2-(3-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3910752
(1S)-1-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 162577520
6-hydroxy-2-(trifluoromethyl)-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-sulfonamide
CID 123870107
N-[[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine
CID 22735274
2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 51200460

Frequently Asked Questions

What is the IUPAC name of 4-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzenesulfonamide?
The IUPAC name of 4-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzenesulfonamide (CID 164550207) is 4-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2CCc3cc(C(F)(F)F)ccc3N2)cc1.
What is the InChIKey of 4-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzenesulfonamide?
The InChIKey is YPPKIXXHAONTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c17-16(18,19)12-4-8-15-11(9-12)3-7-14(21-15)10-1-5-13(6-2-10)24(20,22)23/h1-2,4-6,8-9,14,21H,3,7H2,(H2,20,22,23).
What are the key properties of 4-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzenesulfonamide?
4-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzenesulfonamide has a molecular weight of 356.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-2-yl]benzenesulfonamide is sourced from PubChem (CID 164550207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).