3-acetylbenzenesulfonamide

C8H9NO3S — CID 12619796

IUPAC3-acetylbenzenesulfonamide
SMILESCC(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C8H9NO3S/c1-6(10)7-3-2-4-8(5-7)13(9,11)12/h2-5H,1H3,(H2,9,11,12)
InChIKeyZLZNHLVBJWGUCV-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.54
Rot. Bonds2

About 3-acetylbenzenesulfonamide

3-acetylbenzenesulfonamide (PubChem CID 12619796) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 3-acetylbenzenesulfonamide.

Molecular Properties

Compound Name3-acetylbenzenesulfonamide
PubChem CID12619796
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name3-acetylbenzenesulfonamide
SMILESCC(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C8H9NO3S/c1-6(10)7-3-2-4-8(5-7)13(9,11)12/h2-5H,1H3,(H2,9,11,12)
InChIKeyZLZNHLVBJWGUCV-UHFFFAOYSA-N
XLogP0.54
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetylbenzenesulfonamide?
The IUPAC name of 3-acetylbenzenesulfonamide (CID 12619796) is 3-acetylbenzenesulfonamide.
What is the SMILES notation for 3-acetylbenzenesulfonamide?
The canonical SMILES for 3-acetylbenzenesulfonamide is CC(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-acetylbenzenesulfonamide?
The InChIKey is ZLZNHLVBJWGUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-6(10)7-3-2-4-8(5-7)13(9,11)12/h2-5H,1H3,(H2,9,11,12).
What are the key properties of 3-acetylbenzenesulfonamide?
3-acetylbenzenesulfonamide has a molecular weight of 199.23 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetylbenzenesulfonamide is sourced from PubChem (CID 12619796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).