4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide

C14H12Cl3N3O3S — CID 50892466

IUPAC4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
SMILESNNC(=O)CN(c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl3N3O3S/c15-9-4-6-10(7-5-9)24(22,23)20(8-13(21)19-18)14-11(16)2-1-3-12(14)17/h1-7H,8,18H2,(H,19,21)
InChIKeySYUXUKZJNDPEFG-UHFFFAOYSA-N
MW408.69 g/mol
LogP2.83
Rot. Bonds5

About 4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide

4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide (PubChem CID 50892466) has the molecular formula C14H12Cl3N3O3S and a molecular weight of 408.69 g/mol. Its IUPAC name is 4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
PubChem CID50892466
Molecular FormulaC14H12Cl3N3O3S
Molecular Weight408.69 g/mol
Exact Mass406.97
IUPAC Name4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
SMILESNNC(=O)CN(c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl3N3O3S/c15-9-4-6-10(7-5-9)24(22,23)20(8-13(21)19-18)14-11(16)2-1-3-12(14)17/h1-7H,8,18H2,(H,19,21)
InChIKeySYUXUKZJNDPEFG-UHFFFAOYSA-N
XLogP2.83
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.69
LogP ≤ 52.83
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

4-chloro-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892150
4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892385
3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50895453
3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892625
N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889431
3,4-dichloro-N-(3,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892942
4-fluoro-N-(2-fluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50890637
2-(N-(4-acetamidophenyl)sulfonyl-2,6-dichloroanilino)acetic acid
CID 50889394
4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 126069709
4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 50892349
2-(4-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-phenylacetamide
CID 1472193
2,5-dichloro-N-(2-hydrazinyl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 50889602

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide (CID 50892466) is 4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide is NNC(=O)CN(c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The InChIKey is SYUXUKZJNDPEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N3O3S/c15-9-4-6-10(7-5-9)24(22,23)20(8-13(21)19-18)14-11(16)2-1-3-12(14)17/h1-7H,8,18H2,(H,19,21).
What are the key properties of 4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide has a molecular weight of 408.69 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 50892466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).