N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide

C9H11Cl2N3O3S — CID 50892714

IUPACN-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)NN)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H11Cl2N3O3S/c1-18(16,17)14(5-9(15)13-12)8-4-6(10)2-3-7(8)11/h2-4H,5,12H2,1H3,(H,13,15)
InChIKeyATGDCTIQWZSCKM-UHFFFAOYSA-N
MW312.18 g/mol
LogP0.75
Rot. Bonds4

About N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide

N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide (PubChem CID 50892714) has the molecular formula C9H11Cl2N3O3S and a molecular weight of 312.18 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
PubChem CID50892714
Molecular FormulaC9H11Cl2N3O3S
Molecular Weight312.18 g/mol
Exact Mass310.99
IUPAC NameN-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)NN)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H11Cl2N3O3S/c1-18(16,17)14(5-9(15)13-12)8-4-6(10)2-3-7(8)11/h2-4H,5,12H2,1H3,(H,13,15)
InChIKeyATGDCTIQWZSCKM-UHFFFAOYSA-N
XLogP0.75
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 50.75
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-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 126033136
3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892625
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 100564237
2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide
CID 113156897
N-cyclopentyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 23883978
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 1308135
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632
N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 27056713
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 23931844
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 126034078
N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30242581
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 1326607

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide (CID 50892714) is N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)NN)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide?
The InChIKey is ATGDCTIQWZSCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O3S/c1-18(16,17)14(5-9(15)13-12)8-4-6(10)2-3-7(8)11/h2-4H,5,12H2,1H3,(H,13,15).
What are the key properties of N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide?
N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide has a molecular weight of 312.18 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide is sourced from PubChem (CID 50892714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).