N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide

C13H11N3O5S — CID 3807440

IUPACN-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(O)c(C=NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C13H11N3O5S/c17-13-7-6-11(16(18)19)8-10(13)9-14-15-22(20,21)12-4-2-1-3-5-12/h1-9,15,17H
InChIKeyGAVLWAVBXANOLX-UHFFFAOYSA-N
MW321.31 g/mol
LogP1.61
Rot. Bonds5

About N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide

N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide (PubChem CID 3807440) has the molecular formula C13H11N3O5S and a molecular weight of 321.31 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
PubChem CID3807440
Molecular FormulaC13H11N3O5S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC NameN-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(O)c(C=NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C13H11N3O5S/c17-13-7-6-11(16(18)19)8-10(13)9-14-15-22(20,21)12-4-2-1-3-5-12/h1-9,15,17H
InChIKeyGAVLWAVBXANOLX-UHFFFAOYSA-N
XLogP1.61
TPSA121.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-fluoro-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 135455609
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 5414600
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 135747210
N-[(E)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 136786960
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 139074353
N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]-4-nitrobenzenesulfonamide
CID 135958010
2-[(E)-(benzenesulfonylhydrazinylidene)methyl]-6-bromo-4-nitrophenolate
CID 6895990
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 135722913
4-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4646161
4-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 135625932
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylethanethioamide
CID 137061565
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide
CID 3817140

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide (CID 3807440) is N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide is O=[N+]([O-])c1ccc(O)c(C=NNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide?
The InChIKey is GAVLWAVBXANOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5S/c17-13-7-6-11(16(18)19)8-10(13)9-14-15-22(20,21)12-4-2-1-3-5-12/h1-9,15,17H.
What are the key properties of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide?
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide has a molecular weight of 321.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 3807440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).