4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide

C14H14N2O6S — CID 2945716

IUPAC4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C14H14N2O6S/c1-21-13-6-4-3-5-11(13)15-23(19,20)10-7-8-14(22-2)12(9-10)16(17)18/h3-9,15H,1-2H3
InChIKeyUUKFPUUJDGXFAW-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.41
Rot. Bonds6

About 4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide

4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide (PubChem CID 2945716) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
PubChem CID2945716
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Name4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C14H14N2O6S/c1-21-13-6-4-3-5-11(13)15-23(19,20)10-7-8-14(22-2)12(9-10)16(17)18/h3-9,15H,1-2H3
InChIKeyUUKFPUUJDGXFAW-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide (CID 2945716) is 4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide?
The InChIKey is UUKFPUUJDGXFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c1-21-13-6-4-3-5-11(13)15-23(19,20)10-7-8-14(22-2)12(9-10)16(17)18/h3-9,15H,1-2H3.
What are the key properties of 4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide?
4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide 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-(2-methoxyphenyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 2945716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).