4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C8H10F3N3O2S — CID 43454892

IUPAC4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESNNc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)5-13-17(15,16)7-3-1-6(14-12)2-4-7/h1-4,13-14H,5,12H2
InChIKeyPXZJSOANNLUKCW-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.81
Rot. Bonds4

About 4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 43454892) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is 4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID43454892
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC Name4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESNNc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)5-13-17(15,16)7-3-1-6(14-12)2-4-7/h1-4,13-14H,5,12H2
InChIKeyPXZJSOANNLUKCW-UHFFFAOYSA-N
XLogP0.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.81
H-Bond Donors ≤ 53
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

N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide
CID 61168465
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43135522
4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride
CID 43096777
4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 3734615
3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267871
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267865
2-[(4-hydrazinylphenyl)sulfonylamino]acetamide
CID 43545768
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546298
2-chloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267887

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 43454892) is 4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is NNc1ccc(S(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is PXZJSOANNLUKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c9-8(10,11)5-13-17(15,16)7-3-1-6(14-12)2-4-7/h1-4,13-14H,5,12H2.
What are the key properties of 4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 269.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 43454892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).