5-formyl-2-methoxybenzenesulfonamide

C8H9NO4S — CID 53443272

IUPAC5-formyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C=O)cc1S(N)(=O)=O
InChIInChI=1S/C8H9NO4S/c1-13-7-3-2-6(5-10)4-8(7)14(9,11)12/h2-5H,1H3,(H2,9,11,12)
InChIKeyHZZZXVQYTQPBPF-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.16
Rot. Bonds3

About 5-formyl-2-methoxybenzenesulfonamide

5-formyl-2-methoxybenzenesulfonamide (PubChem CID 53443272) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 5-formyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-formyl-2-methoxybenzenesulfonamide
PubChem CID53443272
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name5-formyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C=O)cc1S(N)(=O)=O
InChIInChI=1S/C8H9NO4S/c1-13-7-3-2-6(5-10)4-8(7)14(9,11)12/h2-5H,1H3,(H2,9,11,12)
InChIKeyHZZZXVQYTQPBPF-UHFFFAOYSA-N
XLogP0.16
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-formyl-2-methoxybenzenesulfonamide (CID 53443272) is 5-formyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-formyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-formyl-2-methoxybenzenesulfonamide is COc1ccc(C=O)cc1S(N)(=O)=O.
What is the InChIKey of 5-formyl-2-methoxybenzenesulfonamide?
The InChIKey is HZZZXVQYTQPBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-13-7-3-2-6(5-10)4-8(7)14(9,11)12/h2-5H,1H3,(H2,9,11,12).
What are the key properties of 5-formyl-2-methoxybenzenesulfonamide?
5-formyl-2-methoxybenzenesulfonamide has a molecular weight of 215.23 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 53443272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).