5-acetyl-2-methylbenzenesulfonamide

C9H11NO3S — CID 12619797

IUPAC5-acetyl-2-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C9H11NO3S/c1-6-3-4-8(7(2)11)5-9(6)14(10,12)13/h3-5H,1-2H3,(H2,10,12,13)
InChIKeyFOBJXKVZKYRFOO-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.85
Rot. Bonds2

About 5-acetyl-2-methylbenzenesulfonamide

5-acetyl-2-methylbenzenesulfonamide (PubChem CID 12619797) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 5-acetyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-acetyl-2-methylbenzenesulfonamide
PubChem CID12619797
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name5-acetyl-2-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C9H11NO3S/c1-6-3-4-8(7(2)11)5-9(6)14(10,12)13/h3-5H,1-2H3,(H2,10,12,13)
InChIKeyFOBJXKVZKYRFOO-UHFFFAOYSA-N
XLogP0.85
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-acetyl-2-methylbenzenesulfonamide (CID 12619797) is 5-acetyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-acetyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-acetyl-2-methylbenzenesulfonamide is CC(=O)c1ccc(C)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-acetyl-2-methylbenzenesulfonamide?
The InChIKey is FOBJXKVZKYRFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-6-3-4-8(7(2)11)5-9(6)14(10,12)13/h3-5H,1-2H3,(H2,10,12,13).
What are the key properties of 5-acetyl-2-methylbenzenesulfonamide?
5-acetyl-2-methylbenzenesulfonamide has a molecular weight of 213.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 12619797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).