(2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine

C18H20FNO3S — CID 146099586

IUPAC(2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
SMILESCc1ccc(F)cc1S(=O)(=O)N1C[C@H](c2ccccc2)OC[C@H]1C
InChIInChI=1S/C18H20FNO3S/c1-13-8-9-16(19)10-18(13)24(21,22)20-11-17(23-12-14(20)2)15-6-4-3-5-7-15/h3-10,14,17H,11-12H2,1-2H3/t14-,17-/m1/s1
InChIKeyAPLSTFOENULCAO-RHSMWYFYSA-N
MW349.43 g/mol
LogP3.28
Rot. Bonds3

About (2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine

(2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine (PubChem CID 146099586) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine.

Molecular Properties

Compound Name(2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
PubChem CID146099586
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name(2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
SMILESCc1ccc(F)cc1S(=O)(=O)N1C[C@H](c2ccccc2)OC[C@H]1C
InChIInChI=1S/C18H20FNO3S/c1-13-8-9-16(19)10-18(13)24(21,22)20-11-17(23-12-14(20)2)15-6-4-3-5-7-15/h3-10,14,17H,11-12H2,1-2H3/t14-,17-/m1/s1
InChIKeyAPLSTFOENULCAO-RHSMWYFYSA-N
XLogP3.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369387
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
4-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369422
4-(3-chloro-4-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369409
5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 110369404
4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369392
(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide
CID 95177243
[4-(2,5-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine
CID 81218450
4-benzylsulfonyl-5-methyl-2-phenylmorpholine
CID 110369410
5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110369412
[2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine
CID 102920372
4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 46452449

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine?
The IUPAC name of (2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine (CID 146099586) is (2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine.
What is the SMILES notation for (2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine?
The canonical SMILES for (2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine is Cc1ccc(F)cc1S(=O)(=O)N1C[C@H](c2ccccc2)OC[C@H]1C.
What is the InChIKey of (2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine?
The InChIKey is APLSTFOENULCAO-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-13-8-9-16(19)10-18(13)24(21,22)20-11-17(23-12-14(20)2)15-6-4-3-5-7-15/h3-10,14,17H,11-12H2,1-2H3/t14-,17-/m1/s1.
What are the key properties of (2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine?
(2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine has a molecular weight of 349.43 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine is sourced from PubChem (CID 146099586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).