4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine

C17H17F2NO4S — CID 39413041

IUPAC4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(OCc2cccc(F)c2F)cc1)N1CCOCC1
InChIInChI=1S/C17H17F2NO4S/c18-16-3-1-2-13(17(16)19)12-24-14-4-6-15(7-5-14)25(21,22)20-8-10-23-11-9-20/h1-7H,8-12H2
InChIKeyYAOMHMGZKQIFHZ-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.56
Rot. Bonds5

About 4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine

4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine (PubChem CID 39413041) has the molecular formula C17H17F2NO4S and a molecular weight of 369.39 g/mol. Its IUPAC name is 4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine
PubChem CID39413041
Molecular FormulaC17H17F2NO4S
Molecular Weight369.39 g/mol
Exact Mass369.08
IUPAC Name4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(OCc2cccc(F)c2F)cc1)N1CCOCC1
InChIInChI=1S/C17H17F2NO4S/c18-16-3-1-2-13(17(16)19)12-24-14-4-6-15(7-5-14)25(21,22)20-8-10-23-11-9-20/h1-7H,8-12H2
InChIKeyYAOMHMGZKQIFHZ-UHFFFAOYSA-N
XLogP2.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(naphthalen-1-ylmethoxy)phenyl]sulfonylmorpholine
CID 7612861
N-(2,6-difluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27101599
4-[4-[(4-iodophenoxy)methyl]phenyl]sulfonylmorpholine
CID 1300600
4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9332672
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9331341
4-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]sulfonylmorpholine
CID 39413047
(2-fluorophenyl)methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]azanium
CID 9440631
4-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 39998547
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
N-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline
CID 55868879
4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 46329228

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine (CID 39413041) is 4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(OCc2cccc(F)c2F)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine?
The InChIKey is YAOMHMGZKQIFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO4S/c18-16-3-1-2-13(17(16)19)12-24-14-4-6-15(7-5-14)25(21,22)20-8-10-23-11-9-20/h1-7H,8-12H2.
What are the key properties of 4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine?
4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine has a molecular weight of 369.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,3-difluorophenyl)methoxy]phenyl]sulfonylmorpholine is sourced from PubChem (CID 39413041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).