2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide

C14H14N2O6S — CID 3627288

IUPAC2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C14H14N2O6S/c1-21-12-6-4-3-5-11(12)15-23(19,20)14-9-10(16(17)18)7-8-13(14)22-2/h3-9,15H,1-2H3
InChIKeySNQZUZUKVLZAPT-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.41
Rot. Bonds6

About 2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide

2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide (PubChem CID 3627288) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
PubChem CID3627288
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Name2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C14H14N2O6S/c1-21-12-6-4-3-5-11(12)15-23(19,20)14-9-10(16(17)18)7-8-13(14)22-2/h3-9,15H,1-2H3
InChIKeySNQZUZUKVLZAPT-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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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-methoxy-5-nitrobenzenesulfonamide
CID 8822909
2-methoxy-5-nitro-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 18141956
N-(2,5-dimethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822749
N-(5-chloro-2-methoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822417
2-(benzylamino)-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 9186751
2-[(2,5-dimethoxyphenyl)methylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 31663976
N-(4-bromo-2-fluorophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822705
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
2-[(2Z)-2-benzylidenehydrazinyl]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 6037118
2-[(4-hydroxycyclohexyl)amino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 18206343
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
N-(2-methoxyphenyl)-5-nitro-2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 6044101

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide (CID 3627288) is 2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of 2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide?
The InChIKey is SNQZUZUKVLZAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c1-21-12-6-4-3-5-11(12)15-23(19,20)14-9-10(16(17)18)7-8-13(14)22-2/h3-9,15H,1-2H3.
What are the key properties of 2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide?
2-methoxy-N-(2-methoxyphenyl)-5-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 2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 3627288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).