N-pentylsulfamoyl fluoride

C5H12FNO2S — CID 54297482

IUPACN-pentylsulfamoyl fluoride
SMILESCCCCCNS(=O)(=O)F
InChIInChI=1S/C5H12FNO2S/c1-2-3-4-5-7-10(6,8)9/h7H,2-5H2,1H3
InChIKeySBULAUMWJXDXMI-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.98
Rot. Bonds5

About N-pentylsulfamoyl fluoride

N-pentylsulfamoyl fluoride (PubChem CID 54297482) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is N-pentylsulfamoyl fluoride.

Molecular Properties

Compound NameN-pentylsulfamoyl fluoride
PubChem CID54297482
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC NameN-pentylsulfamoyl fluoride
SMILESCCCCCNS(=O)(=O)F
InChIInChI=1S/C5H12FNO2S/c1-2-3-4-5-7-10(6,8)9/h7H,2-5H2,1H3
InChIKeySBULAUMWJXDXMI-UHFFFAOYSA-N
XLogP0.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.98
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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Frequently Asked Questions

What is the IUPAC name of N-pentylsulfamoyl fluoride?
The IUPAC name of N-pentylsulfamoyl fluoride (CID 54297482) is N-pentylsulfamoyl fluoride.
What is the SMILES notation for N-pentylsulfamoyl fluoride?
The canonical SMILES for N-pentylsulfamoyl fluoride is CCCCCNS(=O)(=O)F.
What is the InChIKey of N-pentylsulfamoyl fluoride?
The InChIKey is SBULAUMWJXDXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c1-2-3-4-5-7-10(6,8)9/h7H,2-5H2,1H3.
What are the key properties of N-pentylsulfamoyl fluoride?
N-pentylsulfamoyl fluoride has a molecular weight of 169.22 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylsulfamoyl fluoride is sourced from PubChem (CID 54297482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).