(2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline

C16H16FNO2S — CID 8500021

IUPAC(2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
SMILESC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H16FNO2S/c1-12-10-11-13-6-2-4-8-15(13)18(12)21(19,20)16-9-5-3-7-14(16)17/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyBOABFPSPQFAPJO-LBPRGKRZSA-N
MW305.37 g/mol
LogP3.36
Rot. Bonds2

About (2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline

(2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 8500021) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is (2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID8500021
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name(2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
SMILESC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H16FNO2S/c1-12-10-11-13-6-2-4-8-15(13)18(12)21(19,20)16-9-5-3-7-14(16)17/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyBOABFPSPQFAPJO-LBPRGKRZSA-N
XLogP3.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500097
(2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500012
7-fluoro-6-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one
CID 94635879
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol
CID 43135503
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553
1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine
CID 43551065
3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide
CID 31773246
5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyridin-2-amine
CID 62162302
3-[4-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]propanoic acid
CID 8902779
methyl N-[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]carbamate
CID 2998844
[2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]hydrazine
CID 43454884
2-ethyl-1-(2-fluorophenyl)sulfonyl-5-methylpyrrolidine
CID 83228170

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of (2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline (CID 8500021) is (2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline is C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccccc1F.
What is the InChIKey of (2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is BOABFPSPQFAPJO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-12-10-11-13-6-2-4-8-15(13)18(12)21(19,20)16-9-5-3-7-14(16)17/h2-9,12H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
(2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 305.37 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 8500021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).