3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide

C18H21Cl2N3O3S — CID 50895453

IUPAC3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
SMILESCCc1cccc(CC)c1N(CC(=O)NN)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H21Cl2N3O3S/c1-3-12-6-5-7-13(4-2)18(12)23(11-17(24)22-21)27(25,26)14-8-9-15(19)16(20)10-14/h5-10H,3-4,11,21H2,1-2H3,(H,22,24)
InChIKeyWTMGQQKEAADTOV-UHFFFAOYSA-N
MW430.36 g/mol
LogP3.30
Rot. Bonds7

About 3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide

3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide (PubChem CID 50895453) has the molecular formula C18H21Cl2N3O3S and a molecular weight of 430.36 g/mol. Its IUPAC name is 3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
PubChem CID50895453
Molecular FormulaC18H21Cl2N3O3S
Molecular Weight430.36 g/mol
Exact Mass429.07
IUPAC Name3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
SMILESCCc1cccc(CC)c1N(CC(=O)NN)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H21Cl2N3O3S/c1-3-12-6-5-7-13(4-2)18(12)23(11-17(24)22-21)27(25,26)14-8-9-15(19)16(20)10-14/h5-10H,3-4,11,21H2,1-2H3,(H,22,24)
InChIKeyWTMGQQKEAADTOV-UHFFFAOYSA-N
XLogP3.30
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 53.30
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-(N-(3,4-dichlorophenyl)sulfonyl-2,6-diethylanilino)acetamide
CID 50895419
3,4-dichloro-N-(3,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892942
3,4-dichloro-N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892625
4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892466
2-(N-(3,4-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetic acid
CID 50892060
N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889431
4-chloro-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892150
4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 50892349
methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate
CID 50889553
4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892385
N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
CID 50895823
2-(N-(3,4-dichlorophenyl)sulfonyl-3-iodoanilino)acetyl chloride
CID 50891184

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide (CID 50895453) is 3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide is CCc1cccc(CC)c1N(CC(=O)NN)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The InChIKey is WTMGQQKEAADTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O3S/c1-3-12-6-5-7-13(4-2)18(12)23(11-17(24)22-21)27(25,26)14-8-9-15(19)16(20)10-14/h5-10H,3-4,11,21H2,1-2H3,(H,22,24).
What are the key properties of 3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide has a molecular weight of 430.36 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 50895453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).