4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide

C15H16FN3O3S — CID 50890034

IUPAC4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(N(CC(=O)NN)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H16FN3O3S/c1-11-3-2-4-13(9-11)19(10-15(20)18-17)23(21,22)14-7-5-12(16)6-8-14/h2-9H,10,17H2,1H3,(H,18,20)
InChIKeyFLGWXNFIPOAUMJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.32
Rot. Bonds5

About 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide

4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 50890034) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide
PubChem CID50890034
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(N(CC(=O)NN)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H16FN3O3S/c1-11-3-2-4-13(9-11)19(10-15(20)18-17)23(21,22)14-7-5-12(16)6-8-14/h2-9H,10,17H2,1H3,(H,18,20)
InChIKeyFLGWXNFIPOAUMJ-UHFFFAOYSA-N
XLogP1.32
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.32
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

2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide
CID 1288293
N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-3-nitrobenzenesulfonamide
CID 50889987
4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 50892349
4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
CID 50894740
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 30272987
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide
CID 3284151
4-bromo-N-(3,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50891884
N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)-2-nitrobenzenesulfonamide
CID 50889940
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 2279432
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 126148873
4-fluoro-N-(2-fluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50890637
2-[N-(benzenesulfonyl)-3-methylanilino]-N-tert-butylacetamide
CID 51345177

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide (CID 50890034) is 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(N(CC(=O)NN)S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is FLGWXNFIPOAUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-11-3-2-4-13(9-11)19(10-15(20)18-17)23(21,22)14-7-5-12(16)6-8-14/h2-9H,10,17H2,1H3,(H,18,20).
What are the key properties of 4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide?
4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 337.38 g/mol, XLogP of 1.32, 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-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 50890034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).