3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide

C13H15NO3S — CID 78970274

IUPAC3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(CC)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C13H15NO3S/c1-4-9-14(5-2)18(16,17)13-8-6-7-12(10-13)11(3)15/h1,6-8,10H,5,9H2,2-3H3
InChIKeyHHCYYZQMJXZFMU-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.53
Rot. Bonds5

About 3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide

3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide (PubChem CID 78970274) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide
PubChem CID78970274
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(CC)S(=O)(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C13H15NO3S/c1-4-9-14(5-2)18(16,17)13-8-6-7-12(10-13)11(3)15/h1,6-8,10H,5,9H2,2-3H3
InChIKeyHHCYYZQMJXZFMU-UHFFFAOYSA-N
XLogP1.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
3-acetyl-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 60539379
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
2-chloro-4-[ethyl(prop-2-ynyl)sulfamoyl]benzoic acid
CID 107090209
3-acetyl-N-ethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61253542
3-(diethylsulfamoyl)benzoic acid;N-ethylethanamine
CID 161004191
cyanomethyl 3-(diethylsulfamoyl)benzoate
CID 2505913
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711
3-chloro-4-cyano-N-ethyl-N-prop-2-ynylbenzenesulfonamide
CID 112686413
3-acetyl-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384500

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of 3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide (CID 78970274) is 3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for 3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide is C#CCN(CC)S(=O)(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of 3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is HHCYYZQMJXZFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-4-9-14(5-2)18(16,17)13-8-6-7-12(10-13)11(3)15/h1,6-8,10H,5,9H2,2-3H3.
What are the key properties of 3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide?
3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 265.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-ethyl-N-prop-2-ynylbenzenesulfonamide is sourced from PubChem (CID 78970274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).