N-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide

C13H9IN4O7S — CID 136790506

IUPACN-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)N/N=C\c2cc(I)cc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C13H9IN4O7S/c14-9-4-8(13(19)12(5-9)18(22)23)7-15-16-26(24,25)11-3-1-2-10(6-11)17(20)21/h1-7,16,19H/b15-7-
InChIKeyOYVGPXQWKHJMEK-CHHVJCJISA-N
MW492.21 g/mol
LogP2.13
Rot. Bonds6

About N-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide

N-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide (PubChem CID 136790506) has the molecular formula C13H9IN4O7S and a molecular weight of 492.21 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide
PubChem CID136790506
Molecular FormulaC13H9IN4O7S
Molecular Weight492.21 g/mol
Exact Mass491.92
IUPAC NameN-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)N/N=C\c2cc(I)cc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C13H9IN4O7S/c14-9-4-8(13(19)12(5-9)18(22)23)7-15-16-26(24,25)11-3-1-2-10(6-11)17(20)21/h1-7,16,19H/b15-7-
InChIKeyOYVGPXQWKHJMEK-CHHVJCJISA-N
XLogP2.13
TPSA165.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.21
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide 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-fluoro-N-[(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]benzenesulfonamide
CID 3838711
N-[(4-hydroxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 3881304
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 3807440
N-[(E)-(4-methylphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 110517404
N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 135958010
3-nitro-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517374
4-fluoro-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzenesulfonamide
CID 135455624
4-fluoro-N-[(2-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 3401346
4-bromo-N-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzenesulfonamide
CID 3926873
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 136873525
N-[(E)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 136786960
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 110517273

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide?
The IUPAC name of N-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide (CID 136790506) is N-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cccc(S(=O)(=O)N/N=C\c2cc(I)cc([N+](=O)[O-])c2O)c1.
What is the InChIKey of N-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide?
The InChIKey is OYVGPXQWKHJMEK-CHHVJCJISA-N. The full InChI is InChI=1S/C13H9IN4O7S/c14-9-4-8(13(19)12(5-9)18(22)23)7-15-16-26(24,25)11-3-1-2-10(6-11)17(20)21/h1-7,16,19H/b15-7-.
What are the key properties of N-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide?
N-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide has a molecular weight of 492.21 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 136790506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).