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

C17H18FNO3S — CID 2933892

IUPAC6-fluoro-1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(S(=O)(=O)N2c3ccc(F)cc3CCC2C)cc1
InChIInChI=1S/C17H18FNO3S/c1-12-3-4-13-11-14(18)5-10-17(13)19(12)23(20,21)16-8-6-15(22-2)7-9-16/h5-12H,3-4H2,1-2H3
InChIKeyNLNHXGVALRUDCZ-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.36
Rot. Bonds3

About 6-fluoro-1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline

6-fluoro-1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 2933892) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is 6-fluoro-1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-fluoro-1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID2933892
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name6-fluoro-1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(S(=O)(=O)N2c3ccc(F)cc3CCC2C)cc1
InChIInChI=1S/C17H18FNO3S/c1-12-3-4-13-11-14(18)5-10-17(13)19(12)23(20,21)16-8-6-15(22-2)7-9-16/h5-12H,3-4H2,1-2H3
InChIKeyNLNHXGVALRUDCZ-UHFFFAOYSA-N
XLogP3.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-Methoxyphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 711111
N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
N-(3,4-Dimethoxybenzenesulphonyl)-1,2,3,4-tetrahydroquinoline
CID 667562
1-(4-Methoxyphenyl)sulfonyl-4-phenylpiperazine
CID 756017
1-[(4-Methoxyphenyl)sulfonyl]-2-methylindoline
CID 2989329
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71457214
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]piperidin-4-amine;hydrochloride
CID 71462617
6-Methoxy-2,2,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 988603
1-(2,3-Dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1147613
1-(Phenylsulfonyl)-6-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 10026806
4-Methoxy-N-{3-[4-(o-fluorophenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
CID 42388975
4-Methoxy-N-{3-[4-(p-fluorophenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
CID 42389467

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-fluoro-1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline (CID 2933892) is 6-fluoro-1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-fluoro-1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-fluoro-1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline is COc1ccc(S(=O)(=O)N2c3ccc(F)cc3CCC2C)cc1.
What is the InChIKey of 6-fluoro-1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is NLNHXGVALRUDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-12-3-4-13-11-14(18)5-10-17(13)19(12)23(20,21)16-8-6-15(22-2)7-9-16/h5-12H,3-4H2,1-2H3.
What are the key properties of 6-fluoro-1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
6-fluoro-1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 335.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(4-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 2933892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).