4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide

C9H12ClN3O3S — CID 2386052

IUPAC4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide
SMILESCN(CC(=O)NN)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClN3O3S/c1-13(6-9(14)12-11)17(15,16)8-4-2-7(10)3-5-8/h2-5H,6,11H2,1H3,(H,12,14)
InChIKeyZNEMQMKLKHLXMX-UHFFFAOYSA-N
MW277.73 g/mol
LogP-0.05
Rot. Bonds4

About 4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide

4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide (PubChem CID 2386052) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is 4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide
PubChem CID2386052
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC Name4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide
SMILESCN(CC(=O)NN)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClN3O3S/c1-13(6-9(14)12-11)17(15,16)8-4-2-7(10)3-5-8/h2-5H,6,11H2,1H3,(H,12,14)
InChIKeyZNEMQMKLKHLXMX-UHFFFAOYSA-N
XLogP-0.05
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 5-0.05
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

3-Pyrazolidinone, 1-((4-chlorophenyl)sulfonyl)-
CID 1487854
N~2~-[(4-chlorophenyl)sulfonyl]-N~1~,N~1~,N~2~-trimethylglycinamide
CID 973230
N~2~-[(2,5-dichlorophenyl)sulfonyl]-N~2~-methyl-N~1~-(4-methyl-1-piperazinyl)glycinamide
CID 1300280
1-(4-Chlorophenyl)sulfonylpyrrolidine-2-carbohydrazide
CID 3101201
2-[2-(4-chlorophenyl)sulfonylhydrazinyl]-N-(2-methoxyethyl)-2-oxoacetamide
CID 3136225
N-[2-[2-[3-(benzenesulfonamido)propanoyl]hydrazinyl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 24978658
2-{4-[(4-Chlorophenyl)sulfonyl]-1-piperazinyl}acetamide
CID 5062038
Acetic acid, (hydroxyamino)oxo-, 2-((4-chlorophenyl)sulfonyl)hydrazide
CID 3047115
4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide
CID 2363818
4-chloro-N'-(3-methoxypropanoyl)benzenesulfonohydrazide
CID 1728424
3-[(4-Chlorophenyl)sulfonyl]-1,3-thiazolane-2-carbohydrazide
CID 2779023
2-[(2-Chloro-4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45821901

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide (CID 2386052) is 4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide is CN(CC(=O)NN)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide?
The InChIKey is ZNEMQMKLKHLXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c1-13(6-9(14)12-11)17(15,16)8-4-2-7(10)3-5-8/h2-5H,6,11H2,1H3,(H,12,14).
What are the key properties of 4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide?
4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide has a molecular weight of 277.73 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 2386052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).