4-(trifluoromethoxy)benzenesulfonohydrazide

C7H7F3N2O3S — CID 2744727

IUPAC4-(trifluoromethoxy)benzenesulfonohydrazide
SMILESNNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C7H7F3N2O3S/c8-7(9,10)15-5-1-3-6(4-2-5)16(13,14)12-11/h1-4,12H,11H2
InChIKeyGKYGHQWTQOLTJL-UHFFFAOYSA-N
MW256.21 g/mol
LogP0.74
Rot. Bonds3

About 4-(trifluoromethoxy)benzenesulfonohydrazide

4-(trifluoromethoxy)benzenesulfonohydrazide (PubChem CID 2744727) has the molecular formula C7H7F3N2O3S and a molecular weight of 256.21 g/mol. Its IUPAC name is 4-(trifluoromethoxy)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-(trifluoromethoxy)benzenesulfonohydrazide
PubChem CID2744727
Molecular FormulaC7H7F3N2O3S
Molecular Weight256.21 g/mol
Exact Mass256.01
IUPAC Name4-(trifluoromethoxy)benzenesulfonohydrazide
SMILESNNS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C7H7F3N2O3S/c8-7(9,10)15-5-1-3-6(4-2-5)16(13,14)12-11/h1-4,12H,11H2
InChIKeyGKYGHQWTQOLTJL-UHFFFAOYSA-N
XLogP0.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 104873326
diethyl 2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanedioate
CID 3716840
N-fluoro-4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]sulfonylbenzenesulfonamide
CID 57337680
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 26952500
N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154276
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3258852
4-methyl-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide
CID 129072059
N-(4-bromo-2,6-difluorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 21065087
N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3675528

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)benzenesulfonohydrazide?
The IUPAC name of 4-(trifluoromethoxy)benzenesulfonohydrazide (CID 2744727) is 4-(trifluoromethoxy)benzenesulfonohydrazide.
What is the SMILES notation for 4-(trifluoromethoxy)benzenesulfonohydrazide?
The canonical SMILES for 4-(trifluoromethoxy)benzenesulfonohydrazide is NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-(trifluoromethoxy)benzenesulfonohydrazide?
The InChIKey is GKYGHQWTQOLTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3S/c8-7(9,10)15-5-1-3-6(4-2-5)16(13,14)12-11/h1-4,12H,11H2.
What are the key properties of 4-(trifluoromethoxy)benzenesulfonohydrazide?
4-(trifluoromethoxy)benzenesulfonohydrazide has a molecular weight of 256.21 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)benzenesulfonohydrazide is sourced from PubChem (CID 2744727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).