4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide

C17H20FN3O3S — CID 50892349

IUPAC4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(N(CC(=O)NN)S(=O)(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H20FN3O3S/c1-11-8-12(2)17(13(3)9-11)21(10-16(22)20-19)25(23,24)15-6-4-14(18)5-7-15/h4-9H,10,19H2,1-3H3,(H,20,22)
InChIKeyWHZPMVMHUMYFFB-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.94
Rot. Bonds5

About 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide

4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide (PubChem CID 50892349) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
PubChem CID50892349
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC Name4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(N(CC(=O)NN)S(=O)(=O)c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C17H20FN3O3S/c1-11-8-12(2)17(13(3)9-11)21(10-16(22)20-19)25(23,24)15-6-4-14(18)5-7-15/h4-9H,10,19H2,1-3H3,(H,20,22)
InChIKeyWHZPMVMHUMYFFB-UHFFFAOYSA-N
XLogP1.94
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide
CID 50890034
4-fluoro-N-(2-fluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50890637
2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 50891881
N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889431
4-bromo-N-(3,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50891884
4-bromo-N-(2,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50891831
N-[(4-fluorophenyl)methyl]-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 126072480
N-(2-fluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 50890158
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1334839
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30172029
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 30305984
ethyl 2-(2,4,6-trimethyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100518788

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide (CID 50892349) is 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide is Cc1cc(C)c(N(CC(=O)NN)S(=O)(=O)c2ccc(F)cc2)c(C)c1.
What is the InChIKey of 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The InChIKey is WHZPMVMHUMYFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-11-8-12(2)17(13(3)9-11)21(10-16(22)20-19)25(23,24)15-6-4-14(18)5-7-15/h4-9H,10,19H2,1-3H3,(H,20,22).
What are the key properties of 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide has a molecular weight of 365.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 50892349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).