7-[4-(difluoromethoxy)phenyl]sulfonyl-3-morpholin-4-yl-1-oxa-7-azaspiro[3.5]nonane

C18H24F2N2O5S — CID 169143951

IUPAC7-[4-(difluoromethoxy)phenyl]sulfonyl-3-morpholin-4-yl-1-oxa-7-azaspiro[3.5]nonane
SMILESO=S(=O)(c1ccc(OC(F)F)cc1)N1CCC2(CC1)OCC2N1CCOCC1
InChIInChI=1S/C18H24F2N2O5S/c19-17(20)27-14-1-3-15(4-2-14)28(23,24)22-7-5-18(6-8-22)16(13-26-18)21-9-11-25-12-10-21/h1-4,16-17H,5-13H2
InChIKeyCHCBEWRYTNGZIG-UHFFFAOYSA-N
MW418.46 g/mol
LogP1.54
Rot. Bonds5

About 7-[4-(difluoromethoxy)phenyl]sulfonyl-3-morpholin-4-yl-1-oxa-7-azaspiro[3.5]nonane

7-[4-(difluoromethoxy)phenyl]sulfonyl-3-morpholin-4-yl-1-oxa-7-azaspiro[3.5]nonane (PubChem CID 169143951) has the molecular formula C18H24F2N2O5S and a molecular weight of 418.46 g/mol. Its IUPAC name is 7-[4-(difluoromethoxy)phenyl]sulfonyl-3-morpholin-4-yl-1-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[4-(difluoromethoxy)phenyl]sulfonyl-3-morpholin-4-yl-1-oxa-7-azaspiro[3.5]nonane
PubChem CID169143951
Molecular FormulaC18H24F2N2O5S
Molecular Weight418.46 g/mol
Exact Mass418.14
IUPAC Name7-[4-(difluoromethoxy)phenyl]sulfonyl-3-morpholin-4-yl-1-oxa-7-azaspiro[3.5]nonane
SMILESO=S(=O)(c1ccc(OC(F)F)cc1)N1CCC2(CC1)OCC2N1CCOCC1
InChIInChI=1S/C18H24F2N2O5S/c19-17(20)27-14-1-3-15(4-2-14)28(23,24)22-7-5-18(6-8-22)16(13-26-18)21-9-11-25-12-10-21/h1-4,16-17H,5-13H2
InChIKeyCHCBEWRYTNGZIG-UHFFFAOYSA-N
XLogP1.54
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-1-oxa-8-azaspiro[4.5]decane
CID 169143938
9-[4-(difluoromethoxy)phenyl]sulfonyl-2-(oxan-4-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decane
CID 169161089
4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine
CID 118314272
(3R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-3-[(3R)-3-(2-methoxyethyl)-3-methylpyrrolidin-1-yl]-1-oxa-8-azaspiro[4.5]decane
CID 170119805
4-[[(1S,5R)-8-[4-(difluoromethoxy)phenyl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]morpholine
CID 168996180
4-[4-(difluoromethoxy)phenyl]sulfonyl-9-(2,2-dimethyloxan-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 169161001
(2R)-2-(4-morpholin-4-ylsulfonylphenoxy)propanenitrile
CID 9332211
4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
CID 1257549
4-[8-(4-ethoxyphenyl)sulfonyl-8-azaspiro[4.5]decan-3-yl]morpholine
CID 170120954
methyl (2S)-2-(4-morpholin-4-ylsulfonylphenoxy)propanoate
CID 9331081
4-(difluoromethoxy)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3979887
1-[1-[4-(difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidin-6-ide;hydrochloride
CID 159495314

Frequently Asked Questions

What is the IUPAC name of 7-[4-(difluoromethoxy)phenyl]sulfonyl-3-morpholin-4-yl-1-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[4-(difluoromethoxy)phenyl]sulfonyl-3-morpholin-4-yl-1-oxa-7-azaspiro[3.5]nonane (CID 169143951) is 7-[4-(difluoromethoxy)phenyl]sulfonyl-3-morpholin-4-yl-1-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[4-(difluoromethoxy)phenyl]sulfonyl-3-morpholin-4-yl-1-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[4-(difluoromethoxy)phenyl]sulfonyl-3-morpholin-4-yl-1-oxa-7-azaspiro[3.5]nonane is O=S(=O)(c1ccc(OC(F)F)cc1)N1CCC2(CC1)OCC2N1CCOCC1.
What is the InChIKey of 7-[4-(difluoromethoxy)phenyl]sulfonyl-3-morpholin-4-yl-1-oxa-7-azaspiro[3.5]nonane?
The InChIKey is CHCBEWRYTNGZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O5S/c19-17(20)27-14-1-3-15(4-2-14)28(23,24)22-7-5-18(6-8-22)16(13-26-18)21-9-11-25-12-10-21/h1-4,16-17H,5-13H2.
What are the key properties of 7-[4-(difluoromethoxy)phenyl]sulfonyl-3-morpholin-4-yl-1-oxa-7-azaspiro[3.5]nonane?
7-[4-(difluoromethoxy)phenyl]sulfonyl-3-morpholin-4-yl-1-oxa-7-azaspiro[3.5]nonane has a molecular weight of 418.46 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(difluoromethoxy)phenyl]sulfonyl-3-morpholin-4-yl-1-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 169143951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).