4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide

C14H15N5O5S2 — CID 21176411

IUPAC4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide
SMILESNNC(=O)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15N5O5S2/c15-17-13(20)14(25(21,22)11-4-2-1-3-5-11)19-18-10-6-8-12(9-7-10)26(16,23)24/h1-9,18H,15H2,(H,17,20)(H2,16,23,24)/b19-14-
InChIKeyVDFYENOSSMLVFD-RGEXLXHISA-N
MW397.44 g/mol
LogP-0.48
Rot. Bonds4

About 4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide

4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide (PubChem CID 21176411) has the molecular formula C14H15N5O5S2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide
PubChem CID21176411
Molecular FormulaC14H15N5O5S2
Molecular Weight397.44 g/mol
Exact Mass397.05
IUPAC Name4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide
SMILESNNC(=O)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H15N5O5S2/c15-17-13(20)14(25(21,22)11-4-2-1-3-5-11)19-18-10-6-8-12(9-7-10)26(16,23)24/h1-9,18H,15H2,(H,17,20)(H2,16,23,24)/b19-14-
InChIKeyVDFYENOSSMLVFD-RGEXLXHISA-N
XLogP-0.48
TPSA173.81 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide 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

(2Z)-2-(benzenesulfonyl)-2-[(4-fluorophenyl)hydrazinylidene]acetohydrazide
CID 5407441
(2Z)-2-(4-chlorophenyl)sulfonyl-2-[(4-methylphenyl)hydrazinylidene]acetohydrazide
CID 6034461
(1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one
CID 5410527
(2E)-2-[(4-aminophenyl)hydrazinylidene]-2-(benzenesulfonyl)-1-phenylethanone
CID 10523762
(1E)-1-(benzenesulfonyl)-3-chloro-1-[(4-methylphenyl)hydrazinylidene]propan-2-one
CID 15047431
(2Z)-2-(benzenesulfonyl)-2-[(4-bromophenyl)hydrazinylidene]-1-phenylethanone
CID 6514956
ethyl 2-(benzenesulfonyl)-2-(phenylhydrazinylidene)acetate
CID 794239
(2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide
CID 21176413
ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate
CID 5406299
4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide
CID 85329773
N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide
CID 46187228
benzenesulfonamide;methanol
CID 23223292

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide (CID 21176411) is 4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide is NNC(=O)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is VDFYENOSSMLVFD-RGEXLXHISA-N. The full InChI is InChI=1S/C14H15N5O5S2/c15-17-13(20)14(25(21,22)11-4-2-1-3-5-11)19-18-10-6-8-12(9-7-10)26(16,23)24/h1-9,18H,15H2,(H,17,20)(H2,16,23,24)/b19-14-.
What are the key properties of 4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide?
4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 397.44 g/mol, XLogP of -0.48, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 21176411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).