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

C17H18FNO2S — CID 903484

IUPAC(2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc(S(=O)(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1
InChIInChI=1S/C17H18FNO2S/c1-12-3-8-16(9-4-12)22(20,21)19-13(2)5-6-14-11-15(18)7-10-17(14)19/h3-4,7-11,13H,5-6H2,1-2H3/t13-/m1/s1
InChIKeyOIIOXKRFDWSDPU-CYBMUJFWSA-N
MW319.40 g/mol
LogP3.66
Rot. Bonds2

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

(2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 903484) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is (2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID903484
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name(2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc(S(=O)(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1
InChIInChI=1S/C17H18FNO2S/c1-12-3-8-16(9-4-12)22(20,21)19-13(2)5-6-14-11-15(18)7-10-17(14)19/h3-4,7-11,13H,5-6H2,1-2H3/t13-/m1/s1
InChIKeyOIIOXKRFDWSDPU-CYBMUJFWSA-N
XLogP3.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 86231559
1-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-3-(4-methylphenyl)thiourea
CID 25237642
6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 3786582
1-(3,4-dimethylphenyl)-3-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]thiourea
CID 25237648
1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol
CID 123213278
1-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]-3-(4-methoxyphenyl)thiourea
CID 17262758
6-[[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 7526437
1-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
CID 4729991
5-chloro-N-[4-[[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]thiophene-2-sulfonamide
CID 29056874
1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
CID 19682834
1-(5-chlorothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
CID 19682833
1-(5-chloro-2-methylphenyl)-3-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]propane-2-thione
CID 161266901

Frequently Asked Questions

What is the IUPAC name of (2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of (2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 903484) is (2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is Cc1ccc(S(=O)(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1.
What is the InChIKey of (2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is OIIOXKRFDWSDPU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-12-3-8-16(9-4-12)22(20,21)19-13(2)5-6-14-11-15(18)7-10-17(14)19/h3-4,7-11,13H,5-6H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
(2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 319.40 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 903484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).