4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide

C13H12N4O5S — CID 4646161

IUPAC4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN=Cc2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C13H12N4O5S/c14-23(21,22)12-4-1-10(2-5-12)16-15-8-9-7-11(17(19)20)3-6-13(9)18/h1-8,16,18H,(H2,14,21,22)
InChIKeyMBZVTKCXMVVUQS-UHFFFAOYSA-N
MW336.33 g/mol
LogP1.39
Rot. Bonds5

About 4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide

4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide (PubChem CID 4646161) has the molecular formula C13H12N4O5S and a molecular weight of 336.33 g/mol. Its IUPAC name is 4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
PubChem CID4646161
Molecular FormulaC13H12N4O5S
Molecular Weight336.33 g/mol
Exact Mass336.05
IUPAC Name4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN=Cc2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C13H12N4O5S/c14-23(21,22)12-4-1-10(2-5-12)16-15-8-9-7-11(17(19)20)3-6-13(9)18/h1-8,16,18H,(H2,14,21,22)
InChIKeyMBZVTKCXMVVUQS-UHFFFAOYSA-N
XLogP1.39
TPSA147.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 135625932
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4850995
2-[(Z)-[(4-chloro-3-nitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135759833
3-[(2Z)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzoic acid
CID 135775232
2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 3807440
4-fluoro-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 135455609
4-nitro-2-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 135514277
4-nitro-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135563463
1-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-nitroguanidine
CID 135444892
2,4-dinitro-6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136886764
2-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 135406122

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide (CID 4646161) is 4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide is NS(=O)(=O)c1ccc(NN=Cc2cc([N+](=O)[O-])ccc2O)cc1.
What is the InChIKey of 4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is MBZVTKCXMVVUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O5S/c14-23(21,22)12-4-1-10(2-5-12)16-15-8-9-7-11(17(19)20)3-6-13(9)18/h1-8,16,18H,(H2,14,21,22).
What are the key properties of 4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide?
4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 336.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 4646161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).