N-heptylsulfamoyl fluoride

C7H16FNO2S — CID 54309912

IUPACN-heptylsulfamoyl fluoride
SMILESCCCCCCCNS(=O)(=O)F
InChIInChI=1S/C7H16FNO2S/c1-2-3-4-5-6-7-9-12(8,10)11/h9H,2-7H2,1H3
InChIKeySKDNDQFRNHIOTJ-UHFFFAOYSA-N
MW197.27 g/mol
LogP1.76
Rot. Bonds7

About N-heptylsulfamoyl fluoride

N-heptylsulfamoyl fluoride (PubChem CID 54309912) has the molecular formula C7H16FNO2S and a molecular weight of 197.27 g/mol. Its IUPAC name is N-heptylsulfamoyl fluoride.

Molecular Properties

Compound NameN-heptylsulfamoyl fluoride
PubChem CID54309912
Molecular FormulaC7H16FNO2S
Molecular Weight197.27 g/mol
Exact Mass197.09
IUPAC NameN-heptylsulfamoyl fluoride
SMILESCCCCCCCNS(=O)(=O)F
InChIInChI=1S/C7H16FNO2S/c1-2-3-4-5-6-7-9-12(8,10)11/h9H,2-7H2,1H3
InChIKeySKDNDQFRNHIOTJ-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 51.76
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

Hexyl(Hexylsulfamoyl)Amine
CID 15569647
1-(Sulfamoylamino)dodecane
CID 44418905
1-(Sulfamoylamino)decane
CID 53775568
Hexylsulfamoyl fluoride
CID 54409927
N-Hexylsulfamide
CID 15569630
Octylsulfamate
CID 21801554
Decylsulfamate
CID 24796778
Nonylsulfamate
CID 24796780
N-pentylsulfamoyl fluoride
CID 54297482
1-Fluoroheptylsulfamic acid
CID 57274838
N-decylsulfamoyl fluoride
CID 151617025
N-(fluorosulfamoyl)octan-1-amine
CID 172718944

Frequently Asked Questions

What is the IUPAC name of N-heptylsulfamoyl fluoride?
The IUPAC name of N-heptylsulfamoyl fluoride (CID 54309912) is N-heptylsulfamoyl fluoride.
What is the SMILES notation for N-heptylsulfamoyl fluoride?
The canonical SMILES for N-heptylsulfamoyl fluoride is CCCCCCCNS(=O)(=O)F.
What is the InChIKey of N-heptylsulfamoyl fluoride?
The InChIKey is SKDNDQFRNHIOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO2S/c1-2-3-4-5-6-7-9-12(8,10)11/h9H,2-7H2,1H3.
What are the key properties of N-heptylsulfamoyl fluoride?
N-heptylsulfamoyl fluoride has a molecular weight of 197.27 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptylsulfamoyl fluoride is sourced from PubChem (CID 54309912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).