5-acetyl-2-methoxybenzenesulfonamide

C9H11NO4S — CID 15579451

IUPAC5-acetyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(C)=O)cc1S(N)(=O)=O
InChIInChI=1S/C9H11NO4S/c1-6(11)7-3-4-8(14-2)9(5-7)15(10,12)13/h3-5H,1-2H3,(H2,10,12,13)
InChIKeyPYRWOBVBKMNBDM-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.55
Rot. Bonds3

About 5-acetyl-2-methoxybenzenesulfonamide

5-acetyl-2-methoxybenzenesulfonamide (PubChem CID 15579451) has the molecular formula C9H11NO4S and a molecular weight of 229.26 g/mol. Its IUPAC name is 5-acetyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-acetyl-2-methoxybenzenesulfonamide
PubChem CID15579451
Molecular FormulaC9H11NO4S
Molecular Weight229.26 g/mol
Exact Mass229.04
IUPAC Name5-acetyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(C)=O)cc1S(N)(=O)=O
InChIInChI=1S/C9H11NO4S/c1-6(11)7-3-4-8(14-2)9(5-7)15(10,12)13/h3-5H,1-2H3,(H2,10,12,13)
InChIKeyPYRWOBVBKMNBDM-UHFFFAOYSA-N
XLogP0.55
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-2-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-acetyl-2-methoxybenzenesulfonamide (CID 15579451) is 5-acetyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-acetyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-acetyl-2-methoxybenzenesulfonamide is COc1ccc(C(C)=O)cc1S(N)(=O)=O.
What is the InChIKey of 5-acetyl-2-methoxybenzenesulfonamide?
The InChIKey is PYRWOBVBKMNBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S/c1-6(11)7-3-4-8(14-2)9(5-7)15(10,12)13/h3-5H,1-2H3,(H2,10,12,13).
What are the key properties of 5-acetyl-2-methoxybenzenesulfonamide?
5-acetyl-2-methoxybenzenesulfonamide has a molecular weight of 229.26 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 15579451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).