N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide

C13H11N3O6S — CID 135958010

IUPACN-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N/N=C\c2cccc(O)c2O)cc1
InChIInChI=1S/C13H11N3O6S/c17-12-3-1-2-9(13(12)18)8-14-15-23(21,22)11-6-4-10(5-7-11)16(19)20/h1-8,15,17-18H/b14-8-
InChIKeyLOBKZUPBPBIYDF-ZSOIEALJSA-N
MW337.31 g/mol
LogP1.32
Rot. Bonds5

About N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide

N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide (PubChem CID 135958010) has the molecular formula C13H11N3O6S and a molecular weight of 337.31 g/mol. Its IUPAC name is N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
PubChem CID135958010
Molecular FormulaC13H11N3O6S
Molecular Weight337.31 g/mol
Exact Mass337.04
IUPAC NameN-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N/N=C\c2cccc(O)c2O)cc1
InChIInChI=1S/C13H11N3O6S/c17-12-3-1-2-9(13(12)18)8-14-15-23(21,22)11-6-4-10(5-7-11)16(19)20/h1-8,15,17-18H/b14-8-
InChIKeyLOBKZUPBPBIYDF-ZSOIEALJSA-N
XLogP1.32
TPSA142.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(2,3-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2643270
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 3807440
N-[4-[[(Z)-(2,3-dihydroxyphenyl)methylideneamino]sulfamoyl]phenyl]acetamide
CID 135958055
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 135747210
4-fluoro-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzenesulfonamide
CID 135455624
4-fluoro-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 135455609
4-[(2R)-butan-2-yl]-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135958045
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 5414600
4-nitro-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzenesulfonamide
CID 136851968
N-[(E)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 136786960
N-[(Z)-(2-hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 136790506
4-bromo-N-[(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 1027931

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide (CID 135958010) is N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C\c2cccc(O)c2O)cc1.
What is the InChIKey of N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide?
The InChIKey is LOBKZUPBPBIYDF-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H11N3O6S/c17-12-3-1-2-9(13(12)18)8-14-15-23(21,22)11-6-4-10(5-7-11)16(19)20/h1-8,15,17-18H/b14-8-.
What are the key properties of N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide?
N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide has a molecular weight of 337.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 135958010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).