hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide

C8H9F6N3O4S2 — CID 159794587

IUPAChydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESNN.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F6NO4S2.H4N2/c9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14;1-2/h1-5H;1-2H2
InChIKeyNIZTXMIWJAKSOA-UHFFFAOYSA-N
MW389.30 g/mol
LogP1.01
Rot. Bonds3

About hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide

hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide (PubChem CID 159794587) has the molecular formula C8H9F6N3O4S2 and a molecular weight of 389.30 g/mol. Its IUPAC name is hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide.

Molecular Properties

Compound Namehydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
PubChem CID159794587
Molecular FormulaC8H9F6N3O4S2
Molecular Weight389.30 g/mol
Exact Mass388.99
IUPAC Namehydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
SMILESNN.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F6NO4S2.H4N2/c9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14;1-2/h1-5H;1-2H2
InChIKeyNIZTXMIWJAKSOA-UHFFFAOYSA-N
XLogP1.01
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 21343464
1,1,1-trifluoro-N-phenyl-N-(trifluoromethoxy)methanesulfonamide
CID 87990871
N,N-diphenylaniline;trifluoromethanesulfonic acid
CID 86094513
N-[2-[bis(trifluoromethylsulfonyl)amino]-3,6-dimethylphenyl]-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 141333243
[N-(trifluoromethylsulfonyloxy)anilino] trifluoromethanesulfonate
CID 10937983
hydrazine;sulfuric acid;trifluoromethylbenzene
CID 174887305
1,1,1-trifluoro-N-(4-hydroxy-3,5-dimethylphenyl)-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 21045179
CID 11441475
CID 11441475
N-diethoxyphosphoryl-1,1,1-trifluoro-N-phenylmethanesulfonamide
CID 10498785
N-benzyl-N-(trifluoromethylsulfonyl)sulfamoyl fluoride
CID 59403785
oxalic acid;1-phenyl-1-(trifluoromethyl)hydrazine
CID 175005553
N,N-diphenylaniline;2,2,2-trifluoroacetic acid
CID 162535406

Frequently Asked Questions

What is the IUPAC name of hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The IUPAC name of hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide (CID 159794587) is hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide.
What is the SMILES notation for hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The canonical SMILES for hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide is NN.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
The InChIKey is NIZTXMIWJAKSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO4S2.H4N2/c9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14;1-2/h1-5H;1-2H2.
What are the key properties of hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide?
hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide has a molecular weight of 389.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide is sourced from PubChem (CID 159794587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).