octylsulfonyl(trifluoromethylsulfonyl)azanide

C9H17F3NO4S2- — CID 59046727

IUPACoctylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESCCCCCCCCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H17F3NO4S2/c1-2-3-4-5-6-7-8-18(14,15)13-19(16,17)9(10,11)12/h2-8H2,1H3/q-1
InChIKeyBQLWKAVENVVTQH-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.90
Rot. Bonds9

About octylsulfonyl(trifluoromethylsulfonyl)azanide

octylsulfonyl(trifluoromethylsulfonyl)azanide (PubChem CID 59046727) has the molecular formula C9H17F3NO4S2- and a molecular weight of 324.37 g/mol. Its IUPAC name is octylsulfonyl(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Nameoctylsulfonyl(trifluoromethylsulfonyl)azanide
PubChem CID59046727
Molecular FormulaC9H17F3NO4S2-
Molecular Weight324.37 g/mol
Exact Mass324.06
IUPAC Nameoctylsulfonyl(trifluoromethylsulfonyl)azanide
SMILESCCCCCCCCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H17F3NO4S2/c1-2-3-4-5-6-7-8-18(14,15)13-19(16,17)9(10,11)12/h2-8H2,1H3/q-1
InChIKeyBQLWKAVENVVTQH-UHFFFAOYSA-N
XLogP2.90
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of octylsulfonyl(trifluoromethylsulfonyl)azanide?
The IUPAC name of octylsulfonyl(trifluoromethylsulfonyl)azanide (CID 59046727) is octylsulfonyl(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for octylsulfonyl(trifluoromethylsulfonyl)azanide?
The canonical SMILES for octylsulfonyl(trifluoromethylsulfonyl)azanide is CCCCCCCCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of octylsulfonyl(trifluoromethylsulfonyl)azanide?
The InChIKey is BQLWKAVENVVTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3NO4S2/c1-2-3-4-5-6-7-8-18(14,15)13-19(16,17)9(10,11)12/h2-8H2,1H3/q-1.
What are the key properties of octylsulfonyl(trifluoromethylsulfonyl)azanide?
octylsulfonyl(trifluoromethylsulfonyl)azanide has a molecular weight of 324.37 g/mol, XLogP of 2.90, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octylsulfonyl(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 59046727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).