N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide

C10H15N3O3S — CID 2302661

IUPACN-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1
InChIInChI=1S/C10H15N3O3S/c1-8-3-5-9(6-4-8)17(15,16)13(2)7-10(14)12-11/h3-6H,7,11H2,1-2H3,(H,12,14)
InChIKeyJYLCEIRMCAOKST-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.39
Rot. Bonds4

About N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide

N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 2302661) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
PubChem CID2302661
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1
InChIInChI=1S/C10H15N3O3S/c1-8-3-5-9(6-4-8)17(15,16)13(2)7-10(14)12-11/h3-6H,7,11H2,1-2H3,(H,12,14)
InChIKeyJYLCEIRMCAOKST-UHFFFAOYSA-N
XLogP-0.39
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.39
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-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide 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

4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide
CID 45373085
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 40735304
2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide
CID 46820287
N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 50889911
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 1210701
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
N-(2,3-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925267
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide (CID 2302661) is N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1.
What is the InChIKey of N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is JYLCEIRMCAOKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-8-3-5-9(6-4-8)17(15,16)13(2)7-10(14)12-11/h3-6H,7,11H2,1-2H3,(H,12,14).
What are the key properties of N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide?
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 257.31 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2302661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).