N-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide

C12H19N3O3S — CID 50891614

IUPACN-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CC(=O)NN)c1cc(C)ccc1C
InChIInChI=1S/C12H19N3O3S/c1-4-19(17,18)15(8-12(16)14-13)11-7-9(2)5-6-10(11)3/h5-7H,4,8,13H2,1-3H3,(H,14,16)
InChIKeyOMZAESADHGVMFR-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.45
Rot. Bonds5

About N-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide

N-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide (PubChem CID 50891614) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide
PubChem CID50891614
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CC(=O)NN)c1cc(C)ccc1C
InChIInChI=1S/C12H19N3O3S/c1-4-19(17,18)15(8-12(16)14-13)11-7-9(2)5-6-10(11)3/h5-7H,4,8,13H2,1-3H3,(H,14,16)
InChIKeyOMZAESADHGVMFR-UHFFFAOYSA-N
XLogP0.45
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.45
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'}

Analyze N-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
CID 50895823
N-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide
CID 50895813
N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53282051
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 846688
N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281939
4-bromo-N-(2,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50891831
N-[(2S)-butan-2-yl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2272420
N-(4-acetamidophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 113153893
N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 816090
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100563133
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 994386
N-[4-(diethylsulfamoyl)phenyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126254789

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide (CID 50891614) is N-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide is CCS(=O)(=O)N(CC(=O)NN)c1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide?
The InChIKey is OMZAESADHGVMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-19(17,18)15(8-12(16)14-13)11-7-9(2)5-6-10(11)3/h5-7H,4,8,13H2,1-3H3,(H,14,16).
What are the key properties of N-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide?
N-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide is sourced from PubChem (CID 50891614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).