2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C18H17Cl2NO3S2 — CID 55873557

IUPAC2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2NO3S2/c1-26(23,24)14-5-7-16-12(9-14)3-2-8-21(16)18(22)11-25-17-10-13(19)4-6-15(17)20/h4-7,9-10H,2-3,8,11H2,1H3
InChIKeyFTFPHMYLTOSRHS-UHFFFAOYSA-N
MW430.38 g/mol
LogP4.47
Rot. Bonds4

About 2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 55873557) has the molecular formula C18H17Cl2NO3S2 and a molecular weight of 430.38 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID55873557
Molecular FormulaC18H17Cl2NO3S2
Molecular Weight430.38 g/mol
Exact Mass429.00
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H17Cl2NO3S2/c1-26(23,24)14-5-7-16-12(9-14)3-2-8-21(16)18(22)11-25-17-10-13(19)4-6-15(17)20/h4-7,9-10H,2-3,8,11H2,1H3
InChIKeyFTFPHMYLTOSRHS-UHFFFAOYSA-N
XLogP4.47
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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Related Compounds

1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
CID 24526881
(4-chloro-2-iodophenyl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55874081
3-(3,4-difluorophenyl)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 55872667
(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(2-methyl-5-methylsulfonylphenyl)methanone
CID 126837848
2-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 55661378
N-[3-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 55872402
2-chloro-N-methoxy-N-methyl-5-(6-methylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide
CID 55873945
1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-(3-nitropyrazol-1-yl)ethanone
CID 55874082
1-butanoyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
CID 82021448
3-methyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 134060030
1-methyl-3-[2-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55661386
2-(4-bromo-2-fluorophenoxy)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55661300

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 55873557) is 2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is FTFPHMYLTOSRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3S2/c1-26(23,24)14-5-7-16-12(9-14)3-2-8-21(16)18(22)11-25-17-10-13(19)4-6-15(17)20/h4-7,9-10H,2-3,8,11H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 430.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 55873557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).