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

C14H14N2O6S — CID 2843218

IUPAC4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O6S/c1-21-10-3-6-12(7-4-10)23(19,20)15-13-8-5-11(22-2)9-14(13)16(17)18/h3-9,15H,1-2H3
InChIKeyZDUGEADWUFAWQO-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.41
Rot. Bonds6

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

4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide (PubChem CID 2843218) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is 4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide
PubChem CID2843218
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Name4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O6S/c1-21-10-3-6-12(7-4-10)23(19,20)15-13-8-5-11(22-2)9-14(13)16(17)18/h3-9,15H,1-2H3
InChIKeyZDUGEADWUFAWQO-UHFFFAOYSA-N
XLogP2.41
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide 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

N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-nitrobenzenesulfonamide
CID 2947742
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
N-(4-amino-3-nitrophenyl)-4-methoxybenzenesulfonamide
CID 27993402
4-methoxy-N-(3-methylbutan-2-yl)-2-nitroaniline
CID 43084346
4-(2-cyclohexylidenehydrazinyl)-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 4627079
N-(2,4-dichlorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147971
4-methoxy-2-nitro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 18148007
1-N-(4-methoxy-2-nitrophenyl)-2-N-methylpropane-1,2-diamine
CID 114268068
N-(4-methoxyphenyl)-4-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6153192
N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148025
N-(2,4-dimethylphenyl)-4-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]-3-nitrobenzenesulfonamide
CID 55680961
N-(2,2-difluoroethyl)-4-methoxy-2-nitroaniline
CID 79099283

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide (CID 2843218) is 4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide?
The InChIKey is ZDUGEADWUFAWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c1-21-10-3-6-12(7-4-10)23(19,20)15-13-8-5-11(22-2)9-14(13)16(17)18/h3-9,15H,1-2H3.
What are the key properties of 4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide?
4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide has a molecular weight of 338.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 2843218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).