carbanylium;methylsulfonyl-[4-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[6-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[4-(oxiran-2-yl)phenoxy]sulfonylazanide;oxiran-2-ylmethoxysulfonyl(trifluoromethylsulfonyl)azanide

C43H51F3N4O24S8 — CID 164983552

IUPACcarbanylium;methylsulfonyl-[4-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[6-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[4-(oxiran-2-yl)phenoxy]sulfonylazanide;oxiran-2-ylmethoxysulfonyl(trifluoromethylsulfonyl)azanide
SMILESCS(=O)(=O)[N-]S(=O)(=O)Oc1cc(C2CO2)c2ccccc2c1.CS(=O)(=O)[N-]S(=O)(=O)Oc1ccc(C2CO2)cc1.CS(=O)(=O)[N-]S(=O)(=O)Oc1ccc2cc(C3CO3)ccc2c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OCC1CO1.[CH3+].[CH3+].[CH3+].[CH3+]
InChIInChI=1S/2C13H12NO6S2.C9H10NO6S2.C4H5F3NO6S2.4CH3/c1-21(15,16)14-22(17,18)20-12-5-4-9-6-11(13-8-19-13)3-2-10(9)7-12;1-21(15,16)14-22(17,18)20-10-6-9-4-2-3-5-11(9)12(7-10)13-8-19-13;1-17(11,12)10-18(13,14)16-8-4-2-7(3-5-8)9-6-15-9;5-4(6,7)15(9,10)8-16(11,12)14-2-3-1-13-3;;;;/h2*2-7,13H,8H2,1H3;2-5,9H,6H2,1H3;3H,1-2H2;4*1H3/q4*-1;4*+1
InChIKeyFVHNVAIJYPZSND-UHFFFAOYSA-N
MW1321.41 g/mol
LogP6.12
Rot. Bonds20

About carbanylium;methylsulfonyl-[4-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[6-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[4-(oxiran-2-yl)phenoxy]sulfonylazanide;oxiran-2-ylmethoxysulfonyl(trifluoromethylsulfonyl)azanide

carbanylium;methylsulfonyl-[4-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[6-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[4-(oxiran-2-yl)phenoxy]sulfonylazanide;oxiran-2-ylmethoxysulfonyl(trifluoromethylsulfonyl)azanide (PubChem CID 164983552) has the molecular formula C43H51F3N4O24S8 and a molecular weight of 1321.41 g/mol. Its IUPAC name is carbanylium;methylsulfonyl-[4-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[6-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[4-(oxiran-2-yl)phenoxy]sulfonylazanide;oxiran-2-ylmethoxysulfonyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namecarbanylium;methylsulfonyl-[4-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[6-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[4-(oxiran-2-yl)phenoxy]sulfonylazanide;oxiran-2-ylmethoxysulfonyl(trifluoromethylsulfonyl)azanide
PubChem CID164983552
Molecular FormulaC43H51F3N4O24S8
Molecular Weight1321.41 g/mol
Exact Mass1320.06
IUPAC Namecarbanylium;methylsulfonyl-[4-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[6-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[4-(oxiran-2-yl)phenoxy]sulfonylazanide;oxiran-2-ylmethoxysulfonyl(trifluoromethylsulfonyl)azanide
SMILESCS(=O)(=O)[N-]S(=O)(=O)Oc1cc(C2CO2)c2ccccc2c1.CS(=O)(=O)[N-]S(=O)(=O)Oc1ccc(C2CO2)cc1.CS(=O)(=O)[N-]S(=O)(=O)Oc1ccc2cc(C3CO3)ccc2c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OCC1CO1.[CH3+].[CH3+].[CH3+].[CH3+]
InChIInChI=1S/2C13H12NO6S2.C9H10NO6S2.C4H5F3NO6S2.4CH3/c1-21(15,16)14-22(17,18)20-12-5-4-9-6-11(13-8-19-13)3-2-10(9)7-12;1-21(15,16)14-22(17,18)20-10-6-9-4-2-3-5-11(9)12(7-10)13-8-19-13;1-17(11,12)10-18(13,14)16-8-4-2-7(3-5-8)9-6-15-9;5-4(6,7)15(9,10)8-16(11,12)14-2-3-1-13-3;;;;/h2*2-7,13H,8H2,1H3;2-5,9H,6H2,1H3;3H,1-2H2;4*1H3/q4*-1;4*+1
InChIKeyFVHNVAIJYPZSND-UHFFFAOYSA-N
XLogP6.12
TPSA416.56 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001321.41
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanylium;methylsulfonyl-[4-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[6-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[4-(oxiran-2-yl)phenoxy]sulfonylazanide;oxiran-2-ylmethoxysulfonyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of carbanylium;methylsulfonyl-[4-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[6-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[4-(oxiran-2-yl)phenoxy]sulfonylazanide;oxiran-2-ylmethoxysulfonyl(trifluoromethylsulfonyl)azanide (CID 164983552) is carbanylium;methylsulfonyl-[4-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[6-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[4-(oxiran-2-yl)phenoxy]sulfonylazanide;oxiran-2-ylmethoxysulfonyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for carbanylium;methylsulfonyl-[4-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[6-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[4-(oxiran-2-yl)phenoxy]sulfonylazanide;oxiran-2-ylmethoxysulfonyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for carbanylium;methylsulfonyl-[4-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[6-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[4-(oxiran-2-yl)phenoxy]sulfonylazanide;oxiran-2-ylmethoxysulfonyl(trifluoromethylsulfonyl)azanide is CS(=O)(=O)[N-]S(=O)(=O)Oc1cc(C2CO2)c2ccccc2c1.CS(=O)(=O)[N-]S(=O)(=O)Oc1ccc(C2CO2)cc1.CS(=O)(=O)[N-]S(=O)(=O)Oc1ccc2cc(C3CO3)ccc2c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OCC1CO1.[CH3+].[CH3+].[CH3+].[CH3+].
What is the InChIKey of carbanylium;methylsulfonyl-[4-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[6-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[4-(oxiran-2-yl)phenoxy]sulfonylazanide;oxiran-2-ylmethoxysulfonyl(trifluoromethylsulfonyl)azanide?
The InChIKey is FVHNVAIJYPZSND-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H12NO6S2.C9H10NO6S2.C4H5F3NO6S2.4CH3/c1-21(15,16)14-22(17,18)20-12-5-4-9-6-11(13-8-19-13)3-2-10(9)7-12;1-21(15,16)14-22(17,18)20-10-6-9-4-2-3-5-11(9)12(7-10)13-8-19-13;1-17(11,12)10-18(13,14)16-8-4-2-7(3-5-8)9-6-15-9;5-4(6,7)15(9,10)8-16(11,12)14-2-3-1-13-3;;;;/h2*2-7,13H,8H2,1H3;2-5,9H,6H2,1H3;3H,1-2H2;4*1H3/q4*-1;4*+1.
What are the key properties of carbanylium;methylsulfonyl-[4-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[6-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[4-(oxiran-2-yl)phenoxy]sulfonylazanide;oxiran-2-ylmethoxysulfonyl(trifluoromethylsulfonyl)azanide?
carbanylium;methylsulfonyl-[4-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[6-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[4-(oxiran-2-yl)phenoxy]sulfonylazanide;oxiran-2-ylmethoxysulfonyl(trifluoromethylsulfonyl)azanide has a molecular weight of 1321.41 g/mol, XLogP of 6.12, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for carbanylium;methylsulfonyl-[4-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[6-(oxiran-2-yl)naphthalen-2-yl]oxysulfonylazanide;methylsulfonyl-[4-(oxiran-2-yl)phenoxy]sulfonylazanide;oxiran-2-ylmethoxysulfonyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 164983552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).