(2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide

C15H15ClN4O4S — CID 21176413

IUPAC(2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide
SMILESCOc1ccc(Cl)cc1N/N=C(/C(=O)NN)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15ClN4O4S/c1-24-13-8-7-10(16)9-12(13)19-20-15(14(21)18-17)25(22,23)11-5-3-2-4-6-11/h2-9,19H,17H2,1H3,(H,18,21)/b20-15-
InChIKeyQONDRGBGKQZYFP-HKWRFOASSA-N
MW382.83 g/mol
LogP1.54
Rot. Bonds4

About (2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide

(2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide (PubChem CID 21176413) has the molecular formula C15H15ClN4O4S and a molecular weight of 382.83 g/mol. Its IUPAC name is (2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide.

Molecular Properties

Compound Name(2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide
PubChem CID21176413
Molecular FormulaC15H15ClN4O4S
Molecular Weight382.83 g/mol
Exact Mass382.05
IUPAC Name(2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide
SMILESCOc1ccc(Cl)cc1N/N=C(/C(=O)NN)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15ClN4O4S/c1-24-13-8-7-10(16)9-12(13)19-20-15(14(21)18-17)25(22,23)11-5-3-2-4-6-11/h2-9,19H,17H2,1H3,(H,18,21)/b20-15-
InChIKeyQONDRGBGKQZYFP-HKWRFOASSA-N
XLogP1.54
TPSA122.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-2-methoxyphenyl)hydrazine;oxalic acid
CID 175007834
ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate
CID 131632768
(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 51343549
N-(5-chloro-2-methoxyphenyl)sulfamoyl chloride
CID 84760623
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048006
N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide
CID 108987184
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide
CID 39584336
2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1331504
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
2-(5-chloro-2-methoxyanilino)-3-methoxybutanoic acid
CID 112519910
[2-(benzenesulfonamido)-4-chlorophenyl] acetate
CID 51700783

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide?
The IUPAC name of (2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide (CID 21176413) is (2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide.
What is the SMILES notation for (2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide?
The canonical SMILES for (2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide is COc1ccc(Cl)cc1N/N=C(/C(=O)NN)S(=O)(=O)c1ccccc1.
What is the InChIKey of (2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide?
The InChIKey is QONDRGBGKQZYFP-HKWRFOASSA-N. The full InChI is InChI=1S/C15H15ClN4O4S/c1-24-13-8-7-10(16)9-12(13)19-20-15(14(21)18-17)25(22,23)11-5-3-2-4-6-11/h2-9,19H,17H2,1H3,(H,18,21)/b20-15-.
What are the key properties of (2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide?
(2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide has a molecular weight of 382.83 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide is sourced from PubChem (CID 21176413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).