cyclohexyloxysulfonyl(trifluoromethylsulfonyl)azanide

C7H11F3NO5S2- — CID 140750679

IUPACcyclohexyloxysulfonyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC1CCCCC1
InChIInChI=1S/C7H11F3NO5S2/c8-7(9,10)17(12,13)11-18(14,15)16-6-4-2-1-3-5-6/h6H,1-5H2/q-1
InChIKeyYPTCWEURZMCAND-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.80
Rot. Bonds4

About cyclohexyloxysulfonyl(trifluoromethylsulfonyl)azanide

cyclohexyloxysulfonyl(trifluoromethylsulfonyl)azanide (PubChem CID 140750679) has the molecular formula C7H11F3NO5S2- and a molecular weight of 310.30 g/mol. Its IUPAC name is cyclohexyloxysulfonyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Namecyclohexyloxysulfonyl(trifluoromethylsulfonyl)azanide
PubChem CID140750679
Molecular FormulaC7H11F3NO5S2-
Molecular Weight310.30 g/mol
Exact Mass310.00
IUPAC Namecyclohexyloxysulfonyl(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC1CCCCC1
InChIInChI=1S/C7H11F3NO5S2/c8-7(9,10)17(12,13)11-18(14,15)16-6-4-2-1-3-5-6/h6H,1-5H2/q-1
InChIKeyYPTCWEURZMCAND-UHFFFAOYSA-N
XLogP1.80
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cyclohexyl trifluoromethanesulfonate
CID 14917491
1,2-Bistrifluoromethylsulfonyloxycyclohexane
CID 13214238
(2-Fluorocyclohexyl) trifluoromethanesulfonate
CID 14568555
(3-Fluorocyclohexyl) trifluoromethanesulfonate
CID 87154424
(4-Fluorocyclohexyl) trifluoromethanesulfonate
CID 87155534
[4-(Trifluoromethylsulfonyloxy)cyclohexyl] trifluoromethanesulfonate
CID 87650488
[(1R)-2,2-difluorocyclohexyl] trifluoromethanesulfonate
CID 87766433
cyclohexyl N-(trifluoromethylsulfonyl)sulfamate
CID 122661153
cyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-sulfamoylpropyl)sulfonylsulfamate
CID 122661222
cyclohexyl N-(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonylsulfamate
CID 122661234
(2,2-Difluorocyclohexyl) trifluoromethanesulfonate
CID 134300032
[Cyclohexyloxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate
CID 139829051

Frequently Asked Questions

What is the IUPAC name of cyclohexyloxysulfonyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of cyclohexyloxysulfonyl(trifluoromethylsulfonyl)azanide (CID 140750679) is cyclohexyloxysulfonyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for cyclohexyloxysulfonyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for cyclohexyloxysulfonyl(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)F)OC1CCCCC1.
What is the InChIKey of cyclohexyloxysulfonyl(trifluoromethylsulfonyl)azanide?
The InChIKey is YPTCWEURZMCAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3NO5S2/c8-7(9,10)17(12,13)11-18(14,15)16-6-4-2-1-3-5-6/h6H,1-5H2/q-1.
What are the key properties of cyclohexyloxysulfonyl(trifluoromethylsulfonyl)azanide?
cyclohexyloxysulfonyl(trifluoromethylsulfonyl)azanide has a molecular weight of 310.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxysulfonyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 140750679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).