N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide

C17H15ClN4O4S — CID 32925814

IUPACN-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide
SMILESCN(CC(=O)NNC(=O)c1ccccc1Cl)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H15ClN4O4S/c1-22(27(25,26)13-8-6-12(10-19)7-9-13)11-16(23)20-21-17(24)14-4-2-3-5-15(14)18/h2-9H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyZUHIKJLLRYTVII-UHFFFAOYSA-N
MW406.85 g/mol
LogP1.29
Rot. Bonds5

About N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide

N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide (PubChem CID 32925814) has the molecular formula C17H15ClN4O4S and a molecular weight of 406.85 g/mol. Its IUPAC name is N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide
PubChem CID32925814
Molecular FormulaC17H15ClN4O4S
Molecular Weight406.85 g/mol
Exact Mass406.05
IUPAC NameN-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide
SMILESCN(CC(=O)NNC(=O)c1ccccc1Cl)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C17H15ClN4O4S/c1-22(27(25,26)13-8-6-12(10-19)7-9-13)11-16(23)20-21-17(24)14-4-2-3-5-15(14)18/h2-9H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyZUHIKJLLRYTVII-UHFFFAOYSA-N
XLogP1.29
TPSA119.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 26854580
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 9339527
N-butan-2-yl-2-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]benzamide
CID 24665455
N-[2-[2-(3-cyanobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978885
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 31763987
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 24664138
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 26941957
4-cyano-N-methyl-N-[2-[2-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 46642500
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 46423833
4-bromo-N-[2-[2-(5-chloro-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 55791699
N-[2-[2-(2-hydroxy-5-methylbenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 27681289

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide (CID 32925814) is N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide is CN(CC(=O)NNC(=O)c1ccccc1Cl)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide?
The InChIKey is ZUHIKJLLRYTVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4S/c1-22(27(25,26)13-8-6-12(10-19)7-9-13)11-16(23)20-21-17(24)14-4-2-3-5-15(14)18/h2-9H,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide?
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide has a molecular weight of 406.85 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide is sourced from PubChem (CID 32925814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).