N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide

C16H19N3O3S — CID 91671580

IUPACN-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
SMILESCc1ccc(N(CC(=O)NN)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C16H19N3O3S/c1-12-8-9-14(10-13(12)2)19(11-16(20)18-17)23(21,22)15-6-4-3-5-7-15/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyRJOKYNKAJMBZTE-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.49
Rot. Bonds5

About N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide

N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide (PubChem CID 91671580) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
PubChem CID91671580
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
SMILESCc1ccc(N(CC(=O)NN)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C16H19N3O3S/c1-12-8-9-14(10-13(12)2)19(11-16(20)18-17)23(21,22)15-6-4-3-5-7-15/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyRJOKYNKAJMBZTE-UHFFFAOYSA-N
XLogP1.49
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.49
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

N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 50889911
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-propan-2-ylacetamide
CID 51345236
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 51345251
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2,5-dimethylphenyl)acetamide
CID 51345250
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-ethylphenyl)acetamide
CID 30169297
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide
CID 51345395
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100571114
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylphenyl)acetamide
CID 126139478
2-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetyl]amino]benzoate
CID 2280082
N-benzyl-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345394
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30303863
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylmethoxyethyl)acetamide
CID 4664363

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide (CID 91671580) is N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide is Cc1ccc(N(CC(=O)NN)S(=O)(=O)c2ccccc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The InChIKey is RJOKYNKAJMBZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-8-9-14(10-13(12)2)19(11-16(20)18-17)23(21,22)15-6-4-3-5-7-15/h3-10H,11,17H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 91671580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).