4-fluorobutylsulfonyl(fluorosulfonyl)azanide

C4H8F2NO4S2- — CID 59725448

IUPAC4-fluorobutylsulfonyl(fluorosulfonyl)azanide
SMILESO=S(=O)(F)[N-]S(=O)(=O)CCCCF
InChIInChI=1S/C4H8F2NO4S2/c5-3-1-2-4-12(8,9)7-13(6,10)11/h1-4H2/q-1
InChIKeyKLXVXOHPCPSDAL-UHFFFAOYSA-N
MW236.24 g/mol
LogP0.65
Rot. Bonds6

About 4-fluorobutylsulfonyl(fluorosulfonyl)azanide

4-fluorobutylsulfonyl(fluorosulfonyl)azanide (PubChem CID 59725448) has the molecular formula C4H8F2NO4S2- and a molecular weight of 236.24 g/mol. Its IUPAC name is 4-fluorobutylsulfonyl(fluorosulfonyl)azanide.

Molecular Properties

Compound Name4-fluorobutylsulfonyl(fluorosulfonyl)azanide
PubChem CID59725448
Molecular FormulaC4H8F2NO4S2-
Molecular Weight236.24 g/mol
Exact Mass235.99
IUPAC Name4-fluorobutylsulfonyl(fluorosulfonyl)azanide
SMILESO=S(=O)(F)[N-]S(=O)(=O)CCCCF
InChIInChI=1S/C4H8F2NO4S2/c5-3-1-2-4-12(8,9)7-13(6,10)11/h1-4H2/q-1
InChIKeyKLXVXOHPCPSDAL-UHFFFAOYSA-N
XLogP0.65
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 50.65
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 4-fluorobutylsulfonyl(fluorosulfonyl)azanide?
The IUPAC name of 4-fluorobutylsulfonyl(fluorosulfonyl)azanide (CID 59725448) is 4-fluorobutylsulfonyl(fluorosulfonyl)azanide.
What is the SMILES notation for 4-fluorobutylsulfonyl(fluorosulfonyl)azanide?
The canonical SMILES for 4-fluorobutylsulfonyl(fluorosulfonyl)azanide is O=S(=O)(F)[N-]S(=O)(=O)CCCCF.
What is the InChIKey of 4-fluorobutylsulfonyl(fluorosulfonyl)azanide?
The InChIKey is KLXVXOHPCPSDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2NO4S2/c5-3-1-2-4-12(8,9)7-13(6,10)11/h1-4H2/q-1.
What are the key properties of 4-fluorobutylsulfonyl(fluorosulfonyl)azanide?
4-fluorobutylsulfonyl(fluorosulfonyl)azanide has a molecular weight of 236.24 g/mol, XLogP of 0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobutylsulfonyl(fluorosulfonyl)azanide is sourced from PubChem (CID 59725448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).