N-hexylsulfamoyl fluoride

C6H14FNO2S — CID 54409927

IUPACN-hexylsulfamoyl fluoride
SMILESCCCCCCNS(=O)(=O)F
InChIInChI=1S/C6H14FNO2S/c1-2-3-4-5-6-8-11(7,9)10/h8H,2-6H2,1H3
InChIKeyVTJRTBOMHCTIJK-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.37
Rot. Bonds6

About N-hexylsulfamoyl fluoride

N-hexylsulfamoyl fluoride (PubChem CID 54409927) has the molecular formula C6H14FNO2S and a molecular weight of 183.25 g/mol. Its IUPAC name is N-hexylsulfamoyl fluoride.

Molecular Properties

Compound NameN-hexylsulfamoyl fluoride
PubChem CID54409927
Molecular FormulaC6H14FNO2S
Molecular Weight183.25 g/mol
Exact Mass183.07
IUPAC NameN-hexylsulfamoyl fluoride
SMILESCCCCCCNS(=O)(=O)F
InChIInChI=1S/C6H14FNO2S/c1-2-3-4-5-6-8-11(7,9)10/h8H,2-6H2,1H3
InChIKeyVTJRTBOMHCTIJK-UHFFFAOYSA-N
XLogP1.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.37
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

Hexylsulfamic acid
CID 204300
Sodium hexylsulfamate
CID 23670423
N-Hexylsulfamide
CID 15569630
sodium N-amylsulfamate
CID 87069200
Cyclohexylsulfamoyl fluoride
CID 53819693
N-pentylsulfamoyl fluoride
CID 54297482
N-heptylsulfamoyl fluoride
CID 54309912
N-butylsulfamoyl fluoride
CID 54427937
1-Fluorohexylsulfamic acid
CID 57229371
1-Fluoro-6-(sulfinatoamino)hexane
CID 90973735
N-decylsulfamoyl fluoride
CID 151617025
1-Fluoro-1-(sulfinatoamino)pentane
CID 174504933

Frequently Asked Questions

What is the IUPAC name of N-hexylsulfamoyl fluoride?
The IUPAC name of N-hexylsulfamoyl fluoride (CID 54409927) is N-hexylsulfamoyl fluoride.
What is the SMILES notation for N-hexylsulfamoyl fluoride?
The canonical SMILES for N-hexylsulfamoyl fluoride is CCCCCCNS(=O)(=O)F.
What is the InChIKey of N-hexylsulfamoyl fluoride?
The InChIKey is VTJRTBOMHCTIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO2S/c1-2-3-4-5-6-8-11(7,9)10/h8H,2-6H2,1H3.
What are the key properties of N-hexylsulfamoyl fluoride?
N-hexylsulfamoyl fluoride has a molecular weight of 183.25 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylsulfamoyl fluoride is sourced from PubChem (CID 54409927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).