N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide

C10H12Cl3N3O3S — CID 50895823

IUPACN-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CC(=O)NN)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl3N3O3S/c1-2-20(18,19)16(5-10(17)15-14)9-4-7(12)6(11)3-8(9)13/h3-4H,2,5,14H2,1H3,(H,15,17)
InChIKeyPWMMFWUMSKIKRN-UHFFFAOYSA-N
MW360.65 g/mol
LogP1.79
Rot. Bonds5

About N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide

N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide (PubChem CID 50895823) has the molecular formula C10H12Cl3N3O3S and a molecular weight of 360.65 g/mol. Its IUPAC name is N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
PubChem CID50895823
Molecular FormulaC10H12Cl3N3O3S
Molecular Weight360.65 g/mol
Exact Mass358.97
IUPAC NameN-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CC(=O)NN)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H12Cl3N3O3S/c1-2-20(18,19)16(5-10(17)15-14)9-4-7(12)6(11)3-8(9)13/h3-4H,2,5,14H2,1H3,(H,15,17)
InChIKeyPWMMFWUMSKIKRN-UHFFFAOYSA-N
XLogP1.79
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.65
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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-(2,4,5-trichloro-N-ethylsulfonylanilino)propanoic acid
CID 50895858
N-(4-chloro-3-methylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide
CID 50895813
N-(2,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)ethanesulfonamide
CID 50891614
N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
CID 50892714
N-(2-hydrazinyl-2-oxoethyl)-2-nitro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 50895365
3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892625
N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 3272456
N-(2-methoxyethyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 3464588
3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50895453
N-cycloheptyl-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249582
N-[(1S)-1-phenylpropyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 30394084
N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2233147

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide?
The IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide (CID 50895823) is N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide.
What is the SMILES notation for N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide?
The canonical SMILES for N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide is CCS(=O)(=O)N(CC(=O)NN)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide?
The InChIKey is PWMMFWUMSKIKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl3N3O3S/c1-2-20(18,19)16(5-10(17)15-14)9-4-7(12)6(11)3-8(9)13/h3-4H,2,5,14H2,1H3,(H,15,17).
What are the key properties of N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide?
N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide has a molecular weight of 360.65 g/mol, XLogP of 1.79, 5 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-(2,4,5-trichlorophenyl)ethanesulfonamide is sourced from PubChem (CID 50895823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).