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

Analyze N-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[[bis(trifluoromethylsulfonyl)amino]methyl]phenyl]methyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 126640075
benzyl(sulfo)sulfamic acid
CID 54427947
N-benzyl-N-[(E)-but-2-enyl]-1,1,1-trifluoromethanesulfonamide
CID 10946291
N-benzyl-1,1,1-trifluoro-N-hex-3-yn-2-ylmethanesulfonamide
CID 10870888
1,1,1-trifluoro-N-[2-(2-phenyl-1,3-benzodioxol-2-yl)ethyl]-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 58240465
3-[benzyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60948432
(E)-2-(dibenzylamino)ethenesulfonyl fluoride
CID 15311173
hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 159794587
N-benzyl-N-hydroxybenzenesulfonamide
CID 71955991
N-benzyl-1,1,1-trifluoro-N-methylmethanamine
CID 5167579
[2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene
CID 141041544
2-[N-benzyl-2-(trifluoromethylsulfonyl)anilino]ethanol
CID 113222214

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).