N-(4,4,4-trifluorobutyl)sulfamoyl chloride

C4H7ClF3NO2S — CID 114958440

IUPACN-(4,4,4-trifluorobutyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)NCCCC(F)(F)F
InChIInChI=1S/C4H7ClF3NO2S/c5-12(10,11)9-3-1-2-4(6,7)8/h9H,1-3H2
InChIKeyKXBCNPPRTVZTLX-UHFFFAOYSA-N
MW225.62 g/mol
LogP1.40
Rot. Bonds4

About N-(4,4,4-trifluorobutyl)sulfamoyl chloride

N-(4,4,4-trifluorobutyl)sulfamoyl chloride (PubChem CID 114958440) has the molecular formula C4H7ClF3NO2S and a molecular weight of 225.62 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)sulfamoyl chloride
PubChem CID114958440
Molecular FormulaC4H7ClF3NO2S
Molecular Weight225.62 g/mol
Exact Mass224.98
IUPAC NameN-(4,4,4-trifluorobutyl)sulfamoyl chloride
SMILESO=S(=O)(Cl)NCCCC(F)(F)F
InChIInChI=1S/C4H7ClF3NO2S/c5-12(10,11)9-3-1-2-4(6,7)8/h9H,1-3H2
InChIKeyKXBCNPPRTVZTLX-UHFFFAOYSA-N
XLogP1.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.62
LogP ≤ 51.40
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-(4,4,4-trifluorobutyl)sulfamoyl chloride?
The IUPAC name of N-(4,4,4-trifluorobutyl)sulfamoyl chloride (CID 114958440) is N-(4,4,4-trifluorobutyl)sulfamoyl chloride.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)sulfamoyl chloride?
The canonical SMILES for N-(4,4,4-trifluorobutyl)sulfamoyl chloride is O=S(=O)(Cl)NCCCC(F)(F)F.
What is the InChIKey of N-(4,4,4-trifluorobutyl)sulfamoyl chloride?
The InChIKey is KXBCNPPRTVZTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClF3NO2S/c5-12(10,11)9-3-1-2-4(6,7)8/h9H,1-3H2.
What are the key properties of N-(4,4,4-trifluorobutyl)sulfamoyl chloride?
N-(4,4,4-trifluorobutyl)sulfamoyl chloride has a molecular weight of 225.62 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)sulfamoyl chloride is sourced from PubChem (CID 114958440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).