2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine

C20H24FNO4S — CID 110368964

IUPAC2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CC(c2ccccc2F)OCC1(C)C
InChIInChI=1S/C20H24FNO4S/c1-14-9-10-17(25-4)19(11-14)27(23,24)22-12-18(26-13-20(22,2)3)15-7-5-6-8-16(15)21/h5-11,18H,12-13H2,1-4H3
InChIKeyZSMJTBWPROHXRM-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.68
Rot. Bonds4

About 2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine

2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine (PubChem CID 110368964) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine
PubChem CID110368964
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Name2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CC(c2ccccc2F)OCC1(C)C
InChIInChI=1S/C20H24FNO4S/c1-14-9-10-17(25-4)19(11-14)27(23,24)22-12-18(26-13-20(22,2)3)15-7-5-6-8-16(15)21/h5-11,18H,12-13H2,1-4H3
InChIKeyZSMJTBWPROHXRM-UHFFFAOYSA-N
XLogP3.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-5,5-dimethyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110368983
1-[4-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]sulfonylphenyl]ethanone
CID 110368988
4-(4-methoxy-2-methylphenyl)sulfonyl-5,5-dimethyl-2-phenylmorpholine
CID 110327378
7-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-1,4-thiazepane
CID 90630429
2-[4-(2-methoxyphenyl)sulfonyl-5,5-dimethylmorpholin-2-yl]acetic acid
CID 166289300
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
3,3-difluoro-1-(2-methoxy-5-methylphenyl)sulfonylazetidine
CID 167493621
2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
CID 71789655
2-(2-fluorophenyl)-4-(3-methylphenyl)sulfonylmorpholine
CID 110326724
2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide
CID 110368946
4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
CID 66085376

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine?
The IUPAC name of 2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine (CID 110368964) is 2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine?
The canonical SMILES for 2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine is COc1ccc(C)cc1S(=O)(=O)N1CC(c2ccccc2F)OCC1(C)C.
What is the InChIKey of 2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine?
The InChIKey is ZSMJTBWPROHXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c1-14-9-10-17(25-4)19(11-14)27(23,24)22-12-18(26-13-20(22,2)3)15-7-5-6-8-16(15)21/h5-11,18H,12-13H2,1-4H3.
What are the key properties of 2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine?
2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine has a molecular weight of 393.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(2-methoxy-5-methylphenyl)sulfonyl-5,5-dimethylmorpholine is sourced from PubChem (CID 110368964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).