4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine

C18H20FNO3S — CID 110369020

IUPAC4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine
SMILESCc1cc(S(=O)(=O)N2CC(C)OC(c3ccccc3)C2)ccc1F
InChIInChI=1S/C18H20FNO3S/c1-13-10-16(8-9-17(13)19)24(21,22)20-11-14(2)23-18(12-20)15-6-4-3-5-7-15/h3-10,14,18H,11-12H2,1-2H3
InChIKeyWOSYDDHOONHBGH-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.28
Rot. Bonds3

About 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine

4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine (PubChem CID 110369020) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine
PubChem CID110369020
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC Name4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine
SMILESCc1cc(S(=O)(=O)N2CC(C)OC(c3ccccc3)C2)ccc1F
InChIInChI=1S/C18H20FNO3S/c1-13-10-16(8-9-17(13)19)24(21,22)20-11-14(2)23-18(12-20)15-6-4-3-5-7-15/h3-10,14,18H,11-12H2,1-2H3
InChIKeyWOSYDDHOONHBGH-UHFFFAOYSA-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

(2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine
CID 95220723
4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369122
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
N-[4-(2-methyl-6-phenylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 47958927
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine
CID 52985823
2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine
CID 110369292
4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2938439
5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluorobenzoic acid
CID 43078608
(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 39730574
2-benzyl-4-(3,4-dimethylphenyl)sulfonyl-6-methylmorpholine
CID 110644203
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
CID 82844225
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine
CID 104958532

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine (CID 110369020) is 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine is Cc1cc(S(=O)(=O)N2CC(C)OC(c3ccccc3)C2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine?
The InChIKey is WOSYDDHOONHBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-13-10-16(8-9-17(13)19)24(21,22)20-11-14(2)23-18(12-20)15-6-4-3-5-7-15/h3-10,14,18H,11-12H2,1-2H3.
What are the key properties of 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine?
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-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 4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine is sourced from PubChem (CID 110369020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).