2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile

C17H16N2O3S — CID 110709564

IUPAC2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile
SMILESCOC1CCN(S(=O)(=O)c2ccccc2C#N)c2ccccc21
InChIInChI=1S/C17H16N2O3S/c1-22-16-10-11-19(15-8-4-3-7-14(15)16)23(20,21)17-9-5-2-6-13(17)12-18/h2-9,16H,10-11H2,1H3
InChIKeyPKNOLWPYUBVKKR-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.84
Rot. Bonds3

About 2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile

2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile (PubChem CID 110709564) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile.

Molecular Properties

Compound Name2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile
PubChem CID110709564
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile
SMILESCOC1CCN(S(=O)(=O)c2ccccc2C#N)c2ccccc21
InChIInChI=1S/C17H16N2O3S/c1-22-16-10-11-19(15-8-4-3-7-14(15)16)23(20,21)17-9-5-2-6-13(17)12-18/h2-9,16H,10-11H2,1H3
InChIKeyPKNOLWPYUBVKKR-UHFFFAOYSA-N
XLogP2.84
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)benzonitrile
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4-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinoline
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2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile
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2-[(6-acetyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile
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2-(2-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 3523290
3-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
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4-(2-cyanophenyl)sulfonylpiperazine-1-carboxylic acid
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2-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]benzonitrile
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3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile?
The IUPAC name of 2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile (CID 110709564) is 2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile.
What is the SMILES notation for 2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile?
The canonical SMILES for 2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile is COC1CCN(S(=O)(=O)c2ccccc2C#N)c2ccccc21.
What is the InChIKey of 2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile?
The InChIKey is PKNOLWPYUBVKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-22-16-10-11-19(15-8-4-3-7-14(15)16)23(20,21)17-9-5-2-6-13(17)12-18/h2-9,16H,10-11H2,1H3.
What are the key properties of 2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile?
2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile has a molecular weight of 328.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzonitrile is sourced from PubChem (CID 110709564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).