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

C16H20FN3O4S — CID 154817124

IUPAC4-[2-[2-(4-fluoro-2-methoxyphenyl)imidazol-1-yl]ethylsulfonyl]morpholine
SMILESCOc1cc(F)ccc1-c1nccn1CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H20FN3O4S/c1-23-15-12-13(17)2-3-14(15)16-18-4-5-19(16)8-11-25(21,22)20-6-9-24-10-7-20/h2-5,12H,6-11H2,1H3
InChIKeyBSQGNVZKNYLQCG-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.36
Rot. Bonds6

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

4-[2-[2-(4-fluoro-2-methoxyphenyl)imidazol-1-yl]ethylsulfonyl]morpholine (PubChem CID 154817124) has the molecular formula C16H20FN3O4S and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[2-[2-(4-fluoro-2-methoxyphenyl)imidazol-1-yl]ethylsulfonyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(4-fluoro-2-methoxyphenyl)imidazol-1-yl]ethylsulfonyl]morpholine
PubChem CID154817124
Molecular FormulaC16H20FN3O4S
Molecular Weight369.42 g/mol
Exact Mass369.12
IUPAC Name4-[2-[2-(4-fluoro-2-methoxyphenyl)imidazol-1-yl]ethylsulfonyl]morpholine
SMILESCOc1cc(F)ccc1-c1nccn1CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H20FN3O4S/c1-23-15-12-13(17)2-3-14(15)16-18-4-5-19(16)8-11-25(21,22)20-6-9-24-10-7-20/h2-5,12H,6-11H2,1H3
InChIKeyBSQGNVZKNYLQCG-UHFFFAOYSA-N
XLogP1.36
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[2-(4-fluoro-2-methoxyphenyl)imidazol-1-yl]ethylsulfonyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-fluoro-2-methoxyphenyl)imidazol-1-yl]ethylsulfonyl]morpholine?
The IUPAC name of 4-[2-[2-(4-fluoro-2-methoxyphenyl)imidazol-1-yl]ethylsulfonyl]morpholine (CID 154817124) is 4-[2-[2-(4-fluoro-2-methoxyphenyl)imidazol-1-yl]ethylsulfonyl]morpholine.
What is the SMILES notation for 4-[2-[2-(4-fluoro-2-methoxyphenyl)imidazol-1-yl]ethylsulfonyl]morpholine?
The canonical SMILES for 4-[2-[2-(4-fluoro-2-methoxyphenyl)imidazol-1-yl]ethylsulfonyl]morpholine is COc1cc(F)ccc1-c1nccn1CCS(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[2-[2-(4-fluoro-2-methoxyphenyl)imidazol-1-yl]ethylsulfonyl]morpholine?
The InChIKey is BSQGNVZKNYLQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O4S/c1-23-15-12-13(17)2-3-14(15)16-18-4-5-19(16)8-11-25(21,22)20-6-9-24-10-7-20/h2-5,12H,6-11H2,1H3.
What are the key properties of 4-[2-[2-(4-fluoro-2-methoxyphenyl)imidazol-1-yl]ethylsulfonyl]morpholine?
4-[2-[2-(4-fluoro-2-methoxyphenyl)imidazol-1-yl]ethylsulfonyl]morpholine has a molecular weight of 369.42 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-fluoro-2-methoxyphenyl)imidazol-1-yl]ethylsulfonyl]morpholine is sourced from PubChem (CID 154817124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).