4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide

C12H17NO5S — CID 60643280

IUPAC4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C(C)=O)cc1)OC
InChIInChI=1S/C12H17NO5S/c1-9(14)10-4-6-11(7-5-10)19(15,16)13-8-12(17-2)18-3/h4-7,12-13H,8H2,1-3H3
InChIKeyDXFIJPSQACCKKA-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.79
Rot. Bonds7

About 4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide

4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide (PubChem CID 60643280) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide
PubChem CID60643280
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C(C)=O)cc1)OC
InChIInChI=1S/C12H17NO5S/c1-9(14)10-4-6-11(7-5-10)19(15,16)13-8-12(17-2)18-3/h4-7,12-13H,8H2,1-3H3
InChIKeyDXFIJPSQACCKKA-UHFFFAOYSA-N
XLogP0.79
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79090168
4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598487
4-acetyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63959176
4-(2-chloroethyl)-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 28719373
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
methyl 4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]benzoate
CID 115302902
4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663555
4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836399
2-chloro-5-(2,2-dimethoxyethylsulfamoyl)benzoic acid
CID 78907701
4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 4883799
4-acetyl-N-ethoxybenzenesulfonamide
CID 60700500
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide (CID 60643280) is 4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide is COC(CNS(=O)(=O)c1ccc(C(C)=O)cc1)OC.
What is the InChIKey of 4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide?
The InChIKey is DXFIJPSQACCKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-9(14)10-4-6-11(7-5-10)19(15,16)13-8-12(17-2)18-3/h4-7,12-13H,8H2,1-3H3.
What are the key properties of 4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide?
4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide is sourced from PubChem (CID 60643280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).