N-butylsulfamoyl fluoride

C4H10FNO2S — CID 54427937

IUPACN-butylsulfamoyl fluoride
SMILESCCCCNS(=O)(=O)F
InChIInChI=1S/C4H10FNO2S/c1-2-3-4-6-9(5,7)8/h6H,2-4H2,1H3
InChIKeyWFLBTWIUVAJFJZ-UHFFFAOYSA-N
MW155.19 g/mol
LogP0.59
Rot. Bonds4

About N-butylsulfamoyl fluoride

N-butylsulfamoyl fluoride (PubChem CID 54427937) has the molecular formula C4H10FNO2S and a molecular weight of 155.19 g/mol. Its IUPAC name is N-butylsulfamoyl fluoride.

Molecular Properties

Compound NameN-butylsulfamoyl fluoride
PubChem CID54427937
Molecular FormulaC4H10FNO2S
Molecular Weight155.19 g/mol
Exact Mass155.04
IUPAC NameN-butylsulfamoyl fluoride
SMILESCCCCNS(=O)(=O)F
InChIInChI=1S/C4H10FNO2S/c1-2-3-4-6-9(5,7)8/h6H,2-4H2,1H3
InChIKeyWFLBTWIUVAJFJZ-UHFFFAOYSA-N
XLogP0.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.19
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butylsulfamide
CID 12355589
Butylsulfamic acid
CID 3628384
Hexylsulfamoyl fluoride
CID 54409927
n-Butylsulfamoyl chloride
CID 13544378
N-ethylsulfamoyl fluoride
CID 19597133
1-Fluorobutylsulfamic acid
CID 20542132
N-(propan-2-yl)sulfamoyl fluoride
CID 53825309
N-Propylsulfamoyl fluoride
CID 53931242
N-(2-methylpropyl)sulfamoyl fluoride
CID 54068001
N-pentylsulfamoyl fluoride
CID 54297482
N-butan-2-ylsulfamoyl fluoride
CID 56606599
1-Fluoro-4-(sulfinatoamino)butane
CID 91453950

Frequently Asked Questions

What is the IUPAC name of N-butylsulfamoyl fluoride?
The IUPAC name of N-butylsulfamoyl fluoride (CID 54427937) is N-butylsulfamoyl fluoride.
What is the SMILES notation for N-butylsulfamoyl fluoride?
The canonical SMILES for N-butylsulfamoyl fluoride is CCCCNS(=O)(=O)F.
What is the InChIKey of N-butylsulfamoyl fluoride?
The InChIKey is WFLBTWIUVAJFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO2S/c1-2-3-4-6-9(5,7)8/h6H,2-4H2,1H3.
What are the key properties of N-butylsulfamoyl fluoride?
N-butylsulfamoyl fluoride has a molecular weight of 155.19 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylsulfamoyl fluoride is sourced from PubChem (CID 54427937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).