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

C16H15F2NO2S — CID 8500012

IUPAC(2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
SMILESC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2NO2S/c1-11-6-7-12-4-2-3-5-16(12)19(11)22(20,21)13-8-9-14(17)15(18)10-13/h2-5,8-11H,6-7H2,1H3/t11-/m0/s1
InChIKeyQHROGYBENCTIJT-NSHDSACASA-N
MW323.36 g/mol
LogP3.49
Rot. Bonds2

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

(2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 8500012) has the molecular formula C16H15F2NO2S and a molecular weight of 323.36 g/mol. Its IUPAC name is (2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID8500012
Molecular FormulaC16H15F2NO2S
Molecular Weight323.36 g/mol
Exact Mass323.08
IUPAC Name(2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
SMILESC[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2NO2S/c1-11-6-7-12-4-2-3-5-16(12)19(11)22(20,21)13-8-9-14(17)15(18)10-13/h2-5,8-11H,6-7H2,1H3/t11-/m0/s1
InChIKeyQHROGYBENCTIJT-NSHDSACASA-N
XLogP3.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500097
(2S)-1-(2-fluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500021
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol
CID 43135503
3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide
CID 31773246
[(2R)-1-(3,4-difluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 97311670
5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyridin-2-amine
CID 62162302
5-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-1,3-dihydroindol-2-one
CID 9184637
2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 82845026
6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 3786582
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
(2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 903484

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of (2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline (CID 8500012) is (2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline is C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of (2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is QHROGYBENCTIJT-NSHDSACASA-N. The full InChI is InChI=1S/C16H15F2NO2S/c1-11-6-7-12-4-2-3-5-16(12)19(11)22(20,21)13-8-9-14(17)15(18)10-13/h2-5,8-11H,6-7H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
(2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 323.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 8500012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).