4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine

C16H20FN3O3S — CID 154823548

IUPAC4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine
SMILESCc1ccc(F)cc1-c1nccn1CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H20FN3O3S/c1-13-2-3-14(17)12-15(13)16-18-4-5-19(16)8-11-24(21,22)20-6-9-23-10-7-20/h2-5,12H,6-11H2,1H3
InChIKeyKPEKRMCJORUTIY-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.66
Rot. Bonds5

About 4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine

4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine (PubChem CID 154823548) has the molecular formula C16H20FN3O3S and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine
PubChem CID154823548
Molecular FormulaC16H20FN3O3S
Molecular Weight353.42 g/mol
Exact Mass353.12
IUPAC Name4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine
SMILESCc1ccc(F)cc1-c1nccn1CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H20FN3O3S/c1-13-2-3-14(17)12-15(13)16-18-4-5-19(16)8-11-24(21,22)20-6-9-23-10-7-20/h2-5,12H,6-11H2,1H3
InChIKeyKPEKRMCJORUTIY-UHFFFAOYSA-N
XLogP1.66
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine?
The IUPAC name of 4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine (CID 154823548) is 4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine.
What is the SMILES notation for 4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine?
The canonical SMILES for 4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine is Cc1ccc(F)cc1-c1nccn1CCS(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine?
The InChIKey is KPEKRMCJORUTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3S/c1-13-2-3-14(17)12-15(13)16-18-4-5-19(16)8-11-24(21,22)20-6-9-23-10-7-20/h2-5,12H,6-11H2,1H3.
What are the key properties of 4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine?
4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine has a molecular weight of 353.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(5-fluoro-2-methylphenyl)imidazol-1-yl]ethylsulfonyl]morpholine is sourced from PubChem (CID 154823548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).