4-acetyl-N-methylbenzenesulfonamide

C9H11NO3S — CID 2064042

IUPAC4-acetyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C9H11NO3S/c1-7(11)8-3-5-9(6-4-8)14(12,13)10-2/h3-6,10H,1-2H3
InChIKeyJAYNQWDHBPWEMB-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.80
Rot. Bonds3

About 4-acetyl-N-methylbenzenesulfonamide

4-acetyl-N-methylbenzenesulfonamide (PubChem CID 2064042) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-acetyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-methylbenzenesulfonamide
PubChem CID2064042
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name4-acetyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C9H11NO3S/c1-7(11)8-3-5-9(6-4-8)14(12,13)10-2/h3-6,10H,1-2H3
InChIKeyJAYNQWDHBPWEMB-UHFFFAOYSA-N
XLogP0.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-methylbenzenesulfonamide (CID 2064042) is 4-acetyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-methylbenzenesulfonamide?
The InChIKey is JAYNQWDHBPWEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-7(11)8-3-5-9(6-4-8)14(12,13)10-2/h3-6,10H,1-2H3.
What are the key properties of 4-acetyl-N-methylbenzenesulfonamide?
4-acetyl-N-methylbenzenesulfonamide has a molecular weight of 213.26 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 2064042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).