4-methoxy-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide

C14H14N2O6S — CID 1492

IUPAC4-methoxy-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C14H14N2O6S/c1-21-11-4-6-12(7-5-11)23(19,20)15-13-9-10(16(17)18)3-8-14(13)22-2/h3-9,15H,1-2H3
InChIKeyKFMJDJOTJHGYCD-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.41
Rot. Bonds6

About 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide

4-methoxy-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide (PubChem CID 1492) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
PubChem CID1492
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Name4-methoxy-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C14H14N2O6S/c1-21-11-4-6-12(7-5-11)23(19,20)15-13-9-10(16(17)18)3-8-14(13)22-2/h3-9,15H,1-2H3
InChIKeyKFMJDJOTJHGYCD-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

2-Methoxy-5-nitroaniline
CID 7447
4-amino-N-(2-methoxyphenyl)benzene-1-sulfonamide
CID 579335
4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide
CID 1116087
4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2945716
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
N-(3-amino-4-methoxyphenyl)-2,3,4,5,6-pentafluorobenzenesulfonamide
CID 15512246
N-(2-methoxyphenyl)-4-nitrobenzenesulfonamide
CID 835338
4-hydroxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2324622
N-[4-(dimethylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 4587398
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 5031227
N-ethyl-4-(4-nitrophenoxy)benzenesulfonamide
CID 44531247
4-(2,4-Dinitrophenoxy)aniline
CID 3965305

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide (CID 1492) is 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1.
What is the InChIKey of 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide?
The InChIKey is KFMJDJOTJHGYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c1-21-11-4-6-12(7-5-11)23(19,20)15-13-9-10(16(17)18)3-8-14(13)22-2/h3-9,15H,1-2H3.
What are the key properties of 4-methoxy-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide?
4-methoxy-N-(2-methoxy-5-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-(2-methoxy-5-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 1492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).