(3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine

C15H18FN3O4S — CID 164634729

IUPAC(3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine
SMILESCOCn1nccc1S(=O)(=O)N1CCOC[C@H]1c1cccc(F)c1
InChIInChI=1S/C15H18FN3O4S/c1-22-11-18-15(5-6-17-18)24(20,21)19-7-8-23-10-14(19)12-3-2-4-13(16)9-12/h2-6,9,14H,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyVLMRFGVSTGNQDT-AWEZNQCLSA-N
MW355.39 g/mol
LogP1.39
Rot. Bonds5

About (3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine

(3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine (PubChem CID 164634729) has the molecular formula C15H18FN3O4S and a molecular weight of 355.39 g/mol. Its IUPAC name is (3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine.

Molecular Properties

Compound Name(3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine
PubChem CID164634729
Molecular FormulaC15H18FN3O4S
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC Name(3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine
SMILESCOCn1nccc1S(=O)(=O)N1CCOC[C@H]1c1cccc(F)c1
InChIInChI=1S/C15H18FN3O4S/c1-22-11-18-15(5-6-17-18)24(20,21)19-7-8-23-10-14(19)12-3-2-4-13(16)9-12/h2-6,9,14H,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyVLMRFGVSTGNQDT-AWEZNQCLSA-N
XLogP1.39
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine?
The IUPAC name of (3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine (CID 164634729) is (3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine.
What is the SMILES notation for (3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine?
The canonical SMILES for (3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine is COCn1nccc1S(=O)(=O)N1CCOC[C@H]1c1cccc(F)c1.
What is the InChIKey of (3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine?
The InChIKey is VLMRFGVSTGNQDT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18FN3O4S/c1-22-11-18-15(5-6-17-18)24(20,21)19-7-8-23-10-14(19)12-3-2-4-13(16)9-12/h2-6,9,14H,7-8,10-11H2,1H3/t14-/m0/s1.
What are the key properties of (3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine?
(3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine has a molecular weight of 355.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine is sourced from PubChem (CID 164634729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).