[4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide

C14H11F3NO6S2- — CID 164777612

IUPAC[4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)c1cc(OCC2CO2)c2ccccc2c1
InChIInChI=1S/C14H11F3NO6S2/c15-14(16,17)26(21,22)18-25(19,20)11-5-9-3-1-2-4-12(9)13(6-11)24-8-10-7-23-10/h1-6,10H,7-8H2/q-1
InChIKeyGKTCPZMBSQINHE-UHFFFAOYSA-N
MW410.37 g/mol
LogP2.53
Rot. Bonds6

About [4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide

[4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 164777612) has the molecular formula C14H11F3NO6S2- and a molecular weight of 410.37 g/mol. Its IUPAC name is [4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name[4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID164777612
Molecular FormulaC14H11F3NO6S2-
Molecular Weight410.37 g/mol
Exact Mass410.00
IUPAC Name[4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)c1cc(OCC2CO2)c2ccccc2c1
InChIInChI=1S/C14H11F3NO6S2/c15-14(16,17)26(21,22)18-25(19,20)11-5-9-3-1-2-4-12(9)13(6-11)24-8-10-7-23-10/h1-6,10H,7-8H2/q-1
InChIKeyGKTCPZMBSQINHE-UHFFFAOYSA-N
XLogP2.53
TPSA104.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane
CID 89326132
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
[4-(oxiran-2-ylmethoxy)phenyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide
CID 164777423
(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
2-[[1-[2-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]propan-2-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 156790199
1,1-difluoro-2-[[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]methoxy]-2-oxoethanesulfonate
CID 164777733
N-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]propanamide
CID 163899201
1,4-diethylbenzene;methane;bis(2-(naphthalen-1-yloxymethyl)oxirane)
CID 158268997
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140
2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 121473061
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
2-[[4-methyl-2,6-bis[[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]methyl]phenoxy]methyl]oxirane
CID 118360921

Frequently Asked Questions

What is the IUPAC name of [4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of [4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 164777612) is [4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for [4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for [4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)F)c1cc(OCC2CO2)c2ccccc2c1.
What is the InChIKey of [4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is GKTCPZMBSQINHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3NO6S2/c15-14(16,17)26(21,22)18-25(19,20)11-5-9-3-1-2-4-12(9)13(6-11)24-8-10-7-23-10/h1-6,10H,7-8H2/q-1.
What are the key properties of [4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide?
[4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 410.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxiran-2-ylmethoxy)naphthalen-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 164777612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).