N-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride

C8H7F4NO4S2 — CID 59403785

IUPACN-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride
SMILESO=S(=O)(F)N(Cc1ccccc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H7F4NO4S2/c9-8(10,11)18(14,15)13(19(12,16)17)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyGVDWFVIDVSLUFR-UHFFFAOYSA-N
MW321.27 g/mol
LogP1.55
Rot. Bonds4

About N-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride

N-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride (PubChem CID 59403785) has the molecular formula C8H7F4NO4S2 and a molecular weight of 321.27 g/mol. Its IUPAC name is N-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride.

Molecular Properties

Compound NameN-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride
PubChem CID59403785
Molecular FormulaC8H7F4NO4S2
Molecular Weight321.27 g/mol
Exact Mass320.98
IUPAC NameN-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride
SMILESO=S(=O)(F)N(Cc1ccccc1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H7F4NO4S2/c9-8(10,11)18(14,15)13(19(12,16)17)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyGVDWFVIDVSLUFR-UHFFFAOYSA-N
XLogP1.55
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The IUPAC name of N-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride (CID 59403785) is N-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride.
What is the SMILES notation for N-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The canonical SMILES for N-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride is O=S(=O)(F)N(Cc1ccccc1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
The InChIKey is GVDWFVIDVSLUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO4S2/c9-8(10,11)18(14,15)13(19(12,16)17)6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of N-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride?
N-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride has a molecular weight of 321.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride is sourced from PubChem (CID 59403785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).