N-(5,5,5-trifluoropentyl)sulfamoyl chloride

C5H9ClF3NO2S — CID 114958444

IUPACN-(5,5,5-trifluoropentyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)NCCCCC(F)(F)F
InChIInChI=1S/C5H9ClF3NO2S/c6-13(11,12)10-4-2-1-3-5(7,8)9/h10H,1-4H2
InChIKeyMFUROZSHJUFXKV-UHFFFAOYSA-N
MW239.65 g/mol
LogP1.79
Rot. Bonds5

About N-(5,5,5-trifluoropentyl)sulfamoyl chloride

N-(5,5,5-trifluoropentyl)sulfamoyl chloride (PubChem CID 114958444) has the molecular formula C5H9ClF3NO2S and a molecular weight of 239.65 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)sulfamoyl chloride
PubChem CID114958444
Molecular FormulaC5H9ClF3NO2S
Molecular Weight239.65 g/mol
Exact Mass239.00
IUPAC NameN-(5,5,5-trifluoropentyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)NCCCCC(F)(F)F
InChIInChI=1S/C5H9ClF3NO2S/c6-13(11,12)10-4-2-1-3-5(7,8)9/h10H,1-4H2
InChIKeyMFUROZSHJUFXKV-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 51.79
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-(5,5,5-trifluoropentyl)sulfamoyl chloride?
The IUPAC name of N-(5,5,5-trifluoropentyl)sulfamoyl chloride (CID 114958444) is N-(5,5,5-trifluoropentyl)sulfamoyl chloride.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)sulfamoyl chloride?
The canonical SMILES for N-(5,5,5-trifluoropentyl)sulfamoyl chloride is O=S(=O)(Cl)NCCCCC(F)(F)F.
What is the InChIKey of N-(5,5,5-trifluoropentyl)sulfamoyl chloride?
The InChIKey is MFUROZSHJUFXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClF3NO2S/c6-13(11,12)10-4-2-1-3-5(7,8)9/h10H,1-4H2.
What are the key properties of N-(5,5,5-trifluoropentyl)sulfamoyl chloride?
N-(5,5,5-trifluoropentyl)sulfamoyl chloride has a molecular weight of 239.65 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)sulfamoyl chloride is sourced from PubChem (CID 114958444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).