[4-(oxiran-2-ylmethoxy)phenyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide

C11H11F3NO7S2- — CID 164777423

IUPAC[4-(oxiran-2-ylmethoxy)phenyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)OCc1ccc(OCC2CO2)cc1
InChIInChI=1S/C11H11F3NO7S2/c12-11(13,14)23(16,17)15-24(18,19)22-5-8-1-3-9(4-2-8)20-6-10-7-21-10/h1-4,10H,5-7H2/q-1
InChIKeyPRJGOOBJVWVODH-UHFFFAOYSA-N
MW390.34 g/mol
LogP1.45
Rot. Bonds8

About [4-(oxiran-2-ylmethoxy)phenyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide

[4-(oxiran-2-ylmethoxy)phenyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 164777423) has the molecular formula C11H11F3NO7S2- and a molecular weight of 390.34 g/mol. Its IUPAC name is [4-(oxiran-2-ylmethoxy)phenyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name[4-(oxiran-2-ylmethoxy)phenyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID164777423
Molecular FormulaC11H11F3NO7S2-
Molecular Weight390.34 g/mol
Exact Mass389.99
IUPAC Name[4-(oxiran-2-ylmethoxy)phenyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)OCc1ccc(OCC2CO2)cc1
InChIInChI=1S/C11H11F3NO7S2/c12-11(13,14)23(16,17)15-24(18,19)22-5-8-1-3-9(4-2-8)20-6-10-7-21-10/h1-4,10H,5-7H2/q-1
InChIKeyPRJGOOBJVWVODH-UHFFFAOYSA-N
XLogP1.45
TPSA113.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
CID 59015330
CID 59015330
2-[[4-(4-tert-butylphenyl)sulfonylphenoxy]methyl]oxirane
CID 22346063
bis[4-(oxiran-2-ylmethoxy)phenyl] furan-2,5-dicarboxylate
CID 162782627
oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate
CID 174203610
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
[4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 164777612
1,1-difluoro-2-[4-(oxiran-2-ylmethoxy)benzoyl]oxypropane-1-sulfonic acid
CID 165008616
4-[4-(oxiran-2-ylmethoxy)phenyl]butanoic acid
CID 175189091
[4-[4-[4-(oxiran-2-ylmethoxy)benzoyl]oxyphenyl]sulfonylphenyl] 4-(oxiran-2-ylmethoxy)benzoate
CID 102025920

Frequently Asked Questions

What is the IUPAC name of [4-(oxiran-2-ylmethoxy)phenyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of [4-(oxiran-2-ylmethoxy)phenyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide (CID 164777423) is [4-(oxiran-2-ylmethoxy)phenyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for [4-(oxiran-2-ylmethoxy)phenyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for [4-(oxiran-2-ylmethoxy)phenyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OCc1ccc(OCC2CO2)cc1.
What is the InChIKey of [4-(oxiran-2-ylmethoxy)phenyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is PRJGOOBJVWVODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3NO7S2/c12-11(13,14)23(16,17)15-24(18,19)22-5-8-1-3-9(4-2-8)20-6-10-7-21-10/h1-4,10H,5-7H2/q-1.
What are the key properties of [4-(oxiran-2-ylmethoxy)phenyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide?
[4-(oxiran-2-ylmethoxy)phenyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 390.34 g/mol, XLogP of 1.45, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxiran-2-ylmethoxy)phenyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 164777423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).