4-acetyl-N-ethoxybenzenesulfonamide

C10H13NO4S — CID 60700500

IUPAC4-acetyl-N-ethoxybenzenesulfonamide
SMILESCCONS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C10H13NO4S/c1-3-15-11-16(13,14)10-6-4-9(5-7-10)8(2)12/h4-7,11H,3H2,1-2H3
InChIKeyIFFUIHBTHMVTRF-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.12
Rot. Bonds5

About 4-acetyl-N-ethoxybenzenesulfonamide

4-acetyl-N-ethoxybenzenesulfonamide (PubChem CID 60700500) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-acetyl-N-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-ethoxybenzenesulfonamide
PubChem CID60700500
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name4-acetyl-N-ethoxybenzenesulfonamide
SMILESCCONS(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C10H13NO4S/c1-3-15-11-16(13,14)10-6-4-9(5-7-10)8(2)12/h4-7,11H,3H2,1-2H3
InChIKeyIFFUIHBTHMVTRF-UHFFFAOYSA-N
XLogP1.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-acetylphenyl)sulfonylamino]oxyacetic acid
CID 60661455
methyl 2-[4-(ethoxysulfamoyl)phenyl]acetate
CID 64973995
diethyl 2-[(4-acetylphenyl)sulfonylamino]propanedioate
CID 5224259
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
ethyl 4-[(2-amino-2-oxoethoxy)sulfamoyl]benzoate
CID 115992104
4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61395312
4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 60643280
4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79090168
N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617244
4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270402
5-(ethoxysulfamoyl)-2-hydroxybenzoic acid
CID 60700742
2-[(4-acetylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 43081296

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethoxybenzenesulfonamide?
The IUPAC name of 4-acetyl-N-ethoxybenzenesulfonamide (CID 60700500) is 4-acetyl-N-ethoxybenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-ethoxybenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-ethoxybenzenesulfonamide is CCONS(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-ethoxybenzenesulfonamide?
The InChIKey is IFFUIHBTHMVTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-3-15-11-16(13,14)10-6-4-9(5-7-10)8(2)12/h4-7,11H,3H2,1-2H3.
What are the key properties of 4-acetyl-N-ethoxybenzenesulfonamide?
4-acetyl-N-ethoxybenzenesulfonamide has a molecular weight of 243.28 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethoxybenzenesulfonamide is sourced from PubChem (CID 60700500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).