N-(4-fluorobutylsulfonyl)sulfamoyl fluoride

C4H9F2NO4S2 — CID 59725449

IUPACN-(4-fluorobutylsulfonyl)sulfamoyl fluoride
SMILESO=S(=O)(F)NS(=O)(=O)CCCCF
InChIInChI=1S/C4H9F2NO4S2/c5-3-1-2-4-12(8,9)7-13(6,10)11/h7H,1-4H2
InChIKeyNXMOCNOUGHSCSA-UHFFFAOYSA-N
MW237.25 g/mol
LogP-0.13
Rot. Bonds6

About N-(4-fluorobutylsulfonyl)sulfamoyl fluoride

N-(4-fluorobutylsulfonyl)sulfamoyl fluoride (PubChem CID 59725449) has the molecular formula C4H9F2NO4S2 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(4-fluorobutylsulfonyl)sulfamoyl fluoride.

Molecular Properties

Compound NameN-(4-fluorobutylsulfonyl)sulfamoyl fluoride
PubChem CID59725449
Molecular FormulaC4H9F2NO4S2
Molecular Weight237.25 g/mol
Exact Mass236.99
IUPAC NameN-(4-fluorobutylsulfonyl)sulfamoyl fluoride
SMILESO=S(=O)(F)NS(=O)(=O)CCCCF
InChIInChI=1S/C4H9F2NO4S2/c5-3-1-2-4-12(8,9)7-13(6,10)11/h7H,1-4H2
InChIKeyNXMOCNOUGHSCSA-UHFFFAOYSA-N
XLogP-0.13
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
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 N-(4-fluorobutylsulfonyl)sulfamoyl fluoride?
The IUPAC name of N-(4-fluorobutylsulfonyl)sulfamoyl fluoride (CID 59725449) is N-(4-fluorobutylsulfonyl)sulfamoyl fluoride.
What is the SMILES notation for N-(4-fluorobutylsulfonyl)sulfamoyl fluoride?
The canonical SMILES for N-(4-fluorobutylsulfonyl)sulfamoyl fluoride is O=S(=O)(F)NS(=O)(=O)CCCCF.
What is the InChIKey of N-(4-fluorobutylsulfonyl)sulfamoyl fluoride?
The InChIKey is NXMOCNOUGHSCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO4S2/c5-3-1-2-4-12(8,9)7-13(6,10)11/h7H,1-4H2.
What are the key properties of N-(4-fluorobutylsulfonyl)sulfamoyl fluoride?
N-(4-fluorobutylsulfonyl)sulfamoyl fluoride has a molecular weight of 237.25 g/mol, XLogP of -0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorobutylsulfonyl)sulfamoyl fluoride is sourced from PubChem (CID 59725449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).