(2S)-2-(4-fluorophenyl)-4-(3-methylquinolin-8-yl)sulfonylmorpholine

C20H19FN2O3S — CID 25348521

IUPAC(2S)-2-(4-fluorophenyl)-4-(3-methylquinolin-8-yl)sulfonylmorpholine
SMILESCc1cnc2c(S(=O)(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cccc2c1
InChIInChI=1S/C20H19FN2O3S/c1-14-11-16-3-2-4-19(20(16)22-12-14)27(24,25)23-9-10-26-18(13-23)15-5-7-17(21)8-6-15/h2-8,11-12,18H,9-10,13H2,1H3/t18-/m1/s1
InChIKeyMGZUGHUCQGMRJL-GOSISDBHSA-N
MW386.45 g/mol
LogP3.44
Rot. Bonds3

About (2S)-2-(4-fluorophenyl)-4-(3-methylquinolin-8-yl)sulfonylmorpholine

(2S)-2-(4-fluorophenyl)-4-(3-methylquinolin-8-yl)sulfonylmorpholine (PubChem CID 25348521) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-4-(3-methylquinolin-8-yl)sulfonylmorpholine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-4-(3-methylquinolin-8-yl)sulfonylmorpholine
PubChem CID25348521
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name(2S)-2-(4-fluorophenyl)-4-(3-methylquinolin-8-yl)sulfonylmorpholine
SMILESCc1cnc2c(S(=O)(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cccc2c1
InChIInChI=1S/C20H19FN2O3S/c1-14-11-16-3-2-4-19(20(16)22-12-14)27(24,25)23-9-10-26-18(13-23)15-5-7-17(21)8-6-15/h2-8,11-12,18H,9-10,13H2,1H3/t18-/m1/s1
InChIKeyMGZUGHUCQGMRJL-GOSISDBHSA-N
XLogP3.44
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-Methyl-1-[1-(quinoline-8-sulfonyl)-piperidin-4-yl]-1,4-dihydro-benzo[d][1,3]oxazin-2-one
CID 11270546
1-[1-(Quinoline-8-sulfonyl)-piperidin-4-yl]-1,4-dihydro-benzo[d][1,3]oxazin-2-one
CID 11384694
4-Benzyl-5-quinolin-8-ylsulfonyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
CID 68233447
(3R,4R)-3-benzyl-4-methoxy-2-quinolin-8-ylsulfonyl-1,3,4,5-tetrahydro-2-benzazepine
CID 71557114
4-(3-Methylquinolin-8-yl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 45911350
8-{[4-(2-Methoxyphenyl)piperazin-1-yl]sulfonyl}quinoline
CID 1414417
N-(2-ethoxyphenyl)-N-methylquinoline-8-sulfonamide
CID 6621441
[3-[[2-Methoxyethyl(quinolin-8-ylsulfonyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 3683692
8-[4-[2-[Phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]piperazin-1-yl]sulfonylquinoline
CID 46102556
2-(4-Fluorophenyl)-6-methyl-4-pyridin-3-ylsulfonylmorpholine
CID 71997381
4-Quinolin-3-ylsulfonyl-1-oxa-4-azaspiro[5.6]dodecane
CID 128109979
5-fluoro-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzenecarboximidate
CID 53316383

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-4-(3-methylquinolin-8-yl)sulfonylmorpholine?
The IUPAC name of (2S)-2-(4-fluorophenyl)-4-(3-methylquinolin-8-yl)sulfonylmorpholine (CID 25348521) is (2S)-2-(4-fluorophenyl)-4-(3-methylquinolin-8-yl)sulfonylmorpholine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-4-(3-methylquinolin-8-yl)sulfonylmorpholine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-4-(3-methylquinolin-8-yl)sulfonylmorpholine is Cc1cnc2c(S(=O)(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cccc2c1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-4-(3-methylquinolin-8-yl)sulfonylmorpholine?
The InChIKey is MGZUGHUCQGMRJL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-14-11-16-3-2-4-19(20(16)22-12-14)27(24,25)23-9-10-26-18(13-23)15-5-7-17(21)8-6-15/h2-8,11-12,18H,9-10,13H2,1H3/t18-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-4-(3-methylquinolin-8-yl)sulfonylmorpholine?
(2S)-2-(4-fluorophenyl)-4-(3-methylquinolin-8-yl)sulfonylmorpholine has a molecular weight of 386.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-4-(3-methylquinolin-8-yl)sulfonylmorpholine is sourced from PubChem (CID 25348521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).