4-acetyl-N,N-diethylbenzenesulfonamide

C12H17NO3S — CID 750432

IUPAC4-acetyl-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C12H17NO3S/c1-4-13(5-2)17(15,16)12-8-6-11(7-9-12)10(3)14/h6-9H,4-5H2,1-3H3
InChIKeyOKAAHYQTIYWBEL-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.92
Rot. Bonds5

About 4-acetyl-N,N-diethylbenzenesulfonamide

4-acetyl-N,N-diethylbenzenesulfonamide (PubChem CID 750432) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-acetyl-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N,N-diethylbenzenesulfonamide
PubChem CID750432
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name4-acetyl-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C12H17NO3S/c1-4-13(5-2)17(15,16)12-8-6-11(7-9-12)10(3)14/h6-9H,4-5H2,1-3H3
InChIKeyOKAAHYQTIYWBEL-UHFFFAOYSA-N
XLogP1.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N,N-diethylbenzenesulfonamide (CID 750432) is 4-acetyl-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N,N-diethylbenzenesulfonamide?
The InChIKey is OKAAHYQTIYWBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-4-13(5-2)17(15,16)12-8-6-11(7-9-12)10(3)14/h6-9H,4-5H2,1-3H3.
What are the key properties of 4-acetyl-N,N-diethylbenzenesulfonamide?
4-acetyl-N,N-diethylbenzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 750432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).