[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane

C18H22ClNO3SSi — CID 67561869

IUPAC[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1Cc2ccccc2N(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H22ClNO3SSi/c1-25(2,3)23-16-12-14-6-4-5-7-18(14)20(13-16)24(21,22)17-10-8-15(19)9-11-17/h4-11,16H,12-13H2,1-3H3
InChIKeySXIIALVOHVDZOE-UHFFFAOYSA-N
MW395.98 g/mol
LogP4.31
Rot. Bonds4

About [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane

[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane (PubChem CID 67561869) has the molecular formula C18H22ClNO3SSi and a molecular weight of 395.98 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane
PubChem CID67561869
Molecular FormulaC18H22ClNO3SSi
Molecular Weight395.98 g/mol
Exact Mass395.08
IUPAC Name[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1Cc2ccccc2N(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H22ClNO3SSi/c1-25(2,3)23-16-12-14-6-4-5-7-18(14)20(13-16)24(21,22)17-10-8-15(19)9-11-17/h4-11,16H,12-13H2,1-3H3
InChIKeySXIIALVOHVDZOE-UHFFFAOYSA-N
XLogP4.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.98
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-pyridin-2-ylcarbamate
CID 67297196
[(3R)-1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate
CID 129382704
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-(pyridin-4-ylmethyl)carbamate
CID 10161533
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-(pyridin-3-ylmethyl)carbamate
CID 10298093
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl] N-butyl-N-[3-(methylamino)propyl]carbamate;propane
CID 142212520
1-(benzenesulfonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 126480885
1-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
CID 110415887
2,5-dimethyl-4-[4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-1,3-oxazole
CID 110609322
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 110602519
4-N-[1-[4-(4-chlorophenyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 59400078
(2R)-N-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41178483
1-(4-chlorophenyl)sulfonyl-2H-indol-3-one
CID 172633432

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane?
The IUPAC name of [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane (CID 67561869) is [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane?
The canonical SMILES for [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane is C[Si](C)(C)OC1Cc2ccccc2N(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane?
The InChIKey is SXIIALVOHVDZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3SSi/c1-25(2,3)23-16-12-14-6-4-5-7-18(14)20(13-16)24(21,22)17-10-8-15(19)9-11-17/h4-11,16H,12-13H2,1-3H3.
What are the key properties of [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane?
[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane has a molecular weight of 395.98 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 67561869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).