N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide

C13H11N3O7S — CID 3300221

IUPACN-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
SMILESCOc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11N3O7S/c1-23-13-8-10(16(19)20)4-7-12(13)14-24(21,22)11-5-2-9(3-6-11)15(17)18/h2-8,14H,1H3
InChIKeyKJSWWUPOEJJGIU-UHFFFAOYSA-N
MW353.31 g/mol
LogP2.31
Rot. Bonds6

About N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide

N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide (PubChem CID 3300221) has the molecular formula C13H11N3O7S and a molecular weight of 353.31 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
PubChem CID3300221
Molecular FormulaC13H11N3O7S
Molecular Weight353.31 g/mol
Exact Mass353.03
IUPAC NameN-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
SMILESCOc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11N3O7S/c1-23-13-8-10(16(19)20)4-7-12(13)14-24(21,22)11-5-2-9(3-6-11)15(17)18/h2-8,14H,1H3
InChIKeyKJSWWUPOEJJGIU-UHFFFAOYSA-N
XLogP2.31
TPSA141.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774306
N-(2-methoxy-4-nitrophenyl)-9,10-dioxoanthracene-2-sulfonamide
CID 3127937
N-(2-methoxy-5-nitrophenyl)-4-methylsulfonylbenzenesulfonamide
CID 39392767
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
1-ethyl-N-(2-methoxy-4-nitrophenyl)pyrazole-4-sulfonamide
CID 22774330
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide
CID 18575745
N-(3-methoxy-4-methylphenyl)-4-nitrobenzenesulfonamide
CID 170925249
4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide
CID 142750223
N-(4-fluoro-3-methoxyphenyl)-4-nitrobenzenesulfonamide
CID 124620748
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
1-(2-methoxy-4-nitrophenyl)-3-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiourea
CID 19678846

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide (CID 3300221) is N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide is COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide?
The InChIKey is KJSWWUPOEJJGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O7S/c1-23-13-8-10(16(19)20)4-7-12(13)14-24(21,22)11-5-2-9(3-6-11)15(17)18/h2-8,14H,1H3.
What are the key properties of N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide?
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide has a molecular weight of 353.31 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 3300221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).