N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide

C15H15N3O5S — CID 135958056

IUPACN-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide
SMILESCC/C(=N\NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1O
InChIInChI=1S/C15H15N3O5S/c1-2-14(13-8-3-4-9-15(13)19)16-17-24(22,23)12-7-5-6-11(10-12)18(20)21/h3-10,17,19H,2H2,1H3/b16-14+
InChIKeyAVYOUWSUWYQHAU-JQIJEIRASA-N
MW349.37 g/mol
LogP2.39
Rot. Bonds6

About N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide

N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide (PubChem CID 135958056) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide
PubChem CID135958056
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide
SMILESCC/C(=N\NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1O
InChIInChI=1S/C15H15N3O5S/c1-2-14(13-8-3-4-9-15(13)19)16-17-24(22,23)12-7-5-6-11(10-12)18(20)21/h3-10,17,19H,2H2,1H3/b16-14+
InChIKeyAVYOUWSUWYQHAU-JQIJEIRASA-N
XLogP2.39
TPSA121.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.39
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-chloro-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide
CID 136668780
N-(1,3-diphenylpropan-2-ylideneamino)-3-nitrobenzenesulfonamide
CID 167929946
N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide
CID 100974954
N-[(4-hydroxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 3881304
N-[1-(4-hydroxyphenyl)propylideneamino]-4-methyl-3-nitrobenzenesulfonamide
CID 3373472
2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 2966829
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzenesulfonamide
CID 104626488
N'-methyl-3-nitrobenzenesulfonohydrazide
CID 67127032
N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 135647727
N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65112756
N-(3-hydroxy-4-methylphenyl)-3-nitrobenzenesulfonamide
CID 64794397
N-(4-hydroxy-3-methylphenyl)-3-nitrobenzenesulfonamide
CID 2906277

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide (CID 135958056) is N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide is CC/C(=N\NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide?
The InChIKey is AVYOUWSUWYQHAU-JQIJEIRASA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-2-14(13-8-3-4-9-15(13)19)16-17-24(22,23)12-7-5-6-11(10-12)18(20)21/h3-10,17,19H,2H2,1H3/b16-14+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide?
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide has a molecular weight of 349.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 135958056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).