4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine

C14H16FN3O3S — CID 110105191

IUPAC4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine
SMILESCc1cnc(C2CN(S(=O)(=O)c3cccc(F)c3)CCO2)[nH]1
InChIInChI=1S/C14H16FN3O3S/c1-10-8-16-14(17-10)13-9-18(5-6-21-13)22(19,20)12-4-2-3-11(15)7-12/h2-4,7-8,13H,5-6,9H2,1H3,(H,16,17)
InChIKeyNMQVEFAIAUSEDZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.62
Rot. Bonds3

About 4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine

4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine (PubChem CID 110105191) has the molecular formula C14H16FN3O3S and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine
PubChem CID110105191
Molecular FormulaC14H16FN3O3S
Molecular Weight325.37 g/mol
Exact Mass325.09
IUPAC Name4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine
SMILESCc1cnc(C2CN(S(=O)(=O)c3cccc(F)c3)CCO2)[nH]1
InChIInChI=1S/C14H16FN3O3S/c1-10-8-16-14(17-10)13-9-18(5-6-21-13)22(19,20)12-4-2-3-11(15)7-12/h2-4,7-8,13H,5-6,9H2,1H3,(H,16,17)
InChIKeyNMQVEFAIAUSEDZ-UHFFFAOYSA-N
XLogP1.62
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-(3-methoxyphenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 124971831
2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylphenyl)sulfonylmorpholine
CID 110105171
(2R)-4-(3-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 124978418
4-(3-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 127246297
2-(5-methyl-1H-imidazol-2-yl)-4-pyrrolidin-1-ylsulfonylmorpholine
CID 110105040
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 124976182
2-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 124949023
N,N-diethyl-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-sulfonamide
CID 110105054
2-(2-fluorophenyl)-4-(3-methylphenyl)sulfonylmorpholine
CID 110326724
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole
CID 110104922
(2S)-4-(3-fluorophenyl)sulfonyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575837
(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124953145

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine?
The IUPAC name of 4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine (CID 110105191) is 4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine.
What is the SMILES notation for 4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine?
The canonical SMILES for 4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine is Cc1cnc(C2CN(S(=O)(=O)c3cccc(F)c3)CCO2)[nH]1.
What is the InChIKey of 4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine?
The InChIKey is NMQVEFAIAUSEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3S/c1-10-8-16-14(17-10)13-9-18(5-6-21-13)22(19,20)12-4-2-3-11(15)7-12/h2-4,7-8,13H,5-6,9H2,1H3,(H,16,17).
What are the key properties of 4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine?
4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine has a molecular weight of 325.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine is sourced from PubChem (CID 110105191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).