4-methoxy-2-nitrobenzenesulfonamide

C7H8N2O5S — CID 16784452

IUPAC4-methoxy-2-nitrobenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H8N2O5S/c1-14-5-2-3-7(15(8,12)13)6(4-5)9(10)11/h2-4H,1H3,(H2,8,12,13)
InChIKeyMELAWMCOLMMBNG-UHFFFAOYSA-N
MW232.22 g/mol
LogP0.25
Rot. Bonds3

About 4-methoxy-2-nitrobenzenesulfonamide

4-methoxy-2-nitrobenzenesulfonamide (PubChem CID 16784452) has the molecular formula C7H8N2O5S and a molecular weight of 232.22 g/mol. Its IUPAC name is 4-methoxy-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-nitrobenzenesulfonamide
PubChem CID16784452
Molecular FormulaC7H8N2O5S
Molecular Weight232.22 g/mol
Exact Mass232.02
IUPAC Name4-methoxy-2-nitrobenzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H8N2O5S/c1-14-5-2-3-7(15(8,12)13)6(4-5)9(10)11/h2-4H,1H3,(H2,8,12,13)
InChIKeyMELAWMCOLMMBNG-UHFFFAOYSA-N
XLogP0.25
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-2-nitrobenzenesulfonamide?
The IUPAC name of 4-methoxy-2-nitrobenzenesulfonamide (CID 16784452) is 4-methoxy-2-nitrobenzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-nitrobenzenesulfonamide?
The canonical SMILES for 4-methoxy-2-nitrobenzenesulfonamide is COc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-2-nitrobenzenesulfonamide?
The InChIKey is MELAWMCOLMMBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5S/c1-14-5-2-3-7(15(8,12)13)6(4-5)9(10)11/h2-4H,1H3,(H2,8,12,13).
What are the key properties of 4-methoxy-2-nitrobenzenesulfonamide?
4-methoxy-2-nitrobenzenesulfonamide has a molecular weight of 232.22 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-nitrobenzenesulfonamide is sourced from PubChem (CID 16784452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).