(2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide

C14H13FN4O3S — CID 5407441

IUPAC(2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide
SMILESNNC(=O)/C(=N/Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H13FN4O3S/c15-10-6-8-11(9-7-10)18-19-14(13(20)17-16)23(21,22)12-4-2-1-3-5-12/h1-9,18H,16H2,(H,17,20)/b19-14-
InChIKeyMAXVXWFTZIEDEL-RGEXLXHISA-N
MW336.35 g/mol
LogP1.01
Rot. Bonds3

About (2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide

(2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide (PubChem CID 5407441) has the molecular formula C14H13FN4O3S and a molecular weight of 336.35 g/mol. Its IUPAC name is (2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide.

Molecular Properties

Compound Name(2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide
PubChem CID5407441
Molecular FormulaC14H13FN4O3S
Molecular Weight336.35 g/mol
Exact Mass336.07
IUPAC Name(2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide
SMILESNNC(=O)/C(=N/Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H13FN4O3S/c15-10-6-8-11(9-7-10)18-19-14(13(20)17-16)23(21,22)12-4-2-1-3-5-12/h1-9,18H,16H2,(H,17,20)/b19-14-
InChIKeyMAXVXWFTZIEDEL-RGEXLXHISA-N
XLogP1.01
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

Analyze (2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide
CID 21176411
(1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one
CID 5410527
(2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone
CID 10523762
ethyl 2-(benzenesulfonyl)-2-(phenylhydrazinylidene)acetate
CID 794239
(2Z)-2-amino-2-[(4-fluorophenyl)hydrazinylidene]-N-phenylacetamide
CID 134920026
(1E)-1-(benzenesulfonyl)-3-chloro-1-[(4-methylphenyl)hydrazinylidene]propan-2-one
CID 15047431
N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide
CID 46187228
(2E)-2-[(4-fluorophenyl)hydrazinylidene]propanoic acid
CID 156507863
ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate
CID 5406299
2-(benzenesulfonyl)-2-[(4-methoxyphenyl)hydrazinylidene]-1-naphthalen-1-ylethanone
CID 2753823
4-(benzenesulfonyl)-N-[(E)-1-(2,4-difluorophenyl)ethylideneamino]aniline
CID 57421913
(1Z)-1-(benzenesulfonyl)-1-[(2-methoxyphenyl)hydrazinylidene]propan-2-one
CID 6521294

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide?
The IUPAC name of (2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide (CID 5407441) is (2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide.
What is the SMILES notation for (2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide?
The canonical SMILES for (2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide is NNC(=O)/C(=N/Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide?
The InChIKey is MAXVXWFTZIEDEL-RGEXLXHISA-N. The full InChI is InChI=1S/C14H13FN4O3S/c15-10-6-8-11(9-7-10)18-19-14(13(20)17-16)23(21,22)12-4-2-1-3-5-12/h1-9,18H,16H2,(H,17,20)/b19-14-.
What are the key properties of (2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide?
(2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide has a molecular weight of 336.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide is sourced from PubChem (CID 5407441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).