N-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine

C8H13F7N2O2S — CID 22621389

IUPACN-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine
SMILESCCCCNS(=O)(=O)NCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F7N2O2S/c1-2-3-4-16-20(18,19)17-5-6(9,10)7(11,12)8(13,14)15/h16-17H,2-5H2,1H3
InChIKeyOZJOBTNRLDYNDL-UHFFFAOYSA-N
MW334.26 g/mol
LogP2.04
Rot. Bonds8

About N-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine

N-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine (PubChem CID 22621389) has the molecular formula C8H13F7N2O2S and a molecular weight of 334.26 g/mol. Its IUPAC name is N-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine.

Molecular Properties

Compound NameN-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine
PubChem CID22621389
Molecular FormulaC8H13F7N2O2S
Molecular Weight334.26 g/mol
Exact Mass334.06
IUPAC NameN-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine
SMILESCCCCNS(=O)(=O)NCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F7N2O2S/c1-2-3-4-16-20(18,19)17-5-6(9,10)7(11,12)8(13,14)15/h16-17H,2-5H2,1H3
InChIKeyOZJOBTNRLDYNDL-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine?
The IUPAC name of N-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine (CID 22621389) is N-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine.
What is the SMILES notation for N-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine?
The canonical SMILES for N-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine is CCCCNS(=O)(=O)NCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine?
The InChIKey is OZJOBTNRLDYNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F7N2O2S/c1-2-3-4-16-20(18,19)17-5-6(9,10)7(11,12)8(13,14)15/h16-17H,2-5H2,1H3.
What are the key properties of N-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine?
N-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine has a molecular weight of 334.26 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylsulfamoyl)-2,2,3,3,4,4,4-heptafluorobutan-1-amine is sourced from PubChem (CID 22621389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).