1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline

C16H13ClF3NO2S — CID 67505560

IUPAC1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCC1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO2S/c17-12-6-8-13(9-7-12)24(22,23)21-14-4-2-1-3-11(14)5-10-15(21)16(18,19)20/h1-4,6-9,15H,5,10H2
InChIKeyAYGIIIDOJNRWOF-UHFFFAOYSA-N
MW375.80 g/mol
LogP4.41
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline

1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline (PubChem CID 67505560) has the molecular formula C16H13ClF3NO2S and a molecular weight of 375.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline
PubChem CID67505560
Molecular FormulaC16H13ClF3NO2S
Molecular Weight375.80 g/mol
Exact Mass375.03
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCC1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO2S/c17-12-6-8-13(9-7-12)24(22,23)21-14-4-2-1-3-11(14)5-10-15(21)16(18,19)20/h1-4,6-9,15H,5,10H2
InChIKeyAYGIIIDOJNRWOF-UHFFFAOYSA-N
XLogP4.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.80
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500012
N-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]cyclopentanamine
CID 10227698
N-[[4-[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]phenyl]methyl]propan-1-amine
CID 20613803
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol
CID 43135503
(2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500097
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 20613787
1-(4-chlorophenyl)sulfonyl-2-(tritiooxymethyl)-3,4-dihydro-2H-quinoline;methanethiol;molecular hydrogen;1,2,3,4-tetrahydroquinolin-2-ylmethanol
CID 159742900
[(2R)-1-(3,4-difluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 97311670
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 10163543
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methyl N-(thiophen-2-ylmethyl)carbamate
CID 10277281
2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)-4,5-dihydroimidazole
CID 134951056
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 30329086

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline (CID 67505560) is 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline is O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2CCC1C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is AYGIIIDOJNRWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2S/c17-12-6-8-13(9-7-12)24(22,23)21-14-4-2-1-3-11(14)5-10-15(21)16(18,19)20/h1-4,6-9,15H,5,10H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 375.80 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 67505560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).