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

C16H17NO3S — CID 51169545

IUPAC1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccccc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H17NO3S/c1-20-15-10-4-5-11-16(15)21(18,19)17-12-6-8-13-7-2-3-9-14(13)17/h2-5,7,9-11H,6,8,12H2,1H3
InChIKeyFCOCAYWBQAVPJH-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.84
Rot. Bonds3

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

1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 51169545) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID51169545
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccccc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C16H17NO3S/c1-20-15-10-4-5-11-16(15)21(18,19)17-12-6-8-13-7-2-3-9-14(13)17/h2-5,7,9-11H,6,8,12H2,1H3
InChIKeyFCOCAYWBQAVPJH-UHFFFAOYSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 3483007
1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine
CID 86621011
phenyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate
CID 4527658
1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3779020
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 3997114
2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenol
CID 81233664
(3aS,7aS)-2-[[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98296286
(3aR,7aR)-2-[[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 99768692
N-(2-aminoethyl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide
CID 119383156
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
N-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide
CID 27702630
1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 99803410

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 51169545) is 1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline is COc1ccccc1S(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is FCOCAYWBQAVPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-20-15-10-4-5-11-16(15)21(18,19)17-12-6-8-13-7-2-3-9-14(13)17/h2-5,7,9-11H,6,8,12H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 303.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 51169545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).