2-(benzenesulfonylmethyl)-N,N-dimethylprop-2-enamide

C12H15NO3S — CID 14296319

IUPAC2-(benzenesulfonylmethyl)-N,N-dimethylprop-2-enamide
SMILESC=C(CS(=O)(=O)c1ccccc1)C(=O)N(C)C
InChIInChI=1S/C12H15NO3S/c1-10(12(14)13(2)3)9-17(15,16)11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3
InChIKeyWARXWDXBNUYXER-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.10
Rot. Bonds4

About 2-(benzenesulfonylmethyl)-N,N-dimethylprop-2-enamide

2-(benzenesulfonylmethyl)-N,N-dimethylprop-2-enamide (PubChem CID 14296319) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-N,N-dimethylprop-2-enamide
PubChem CID14296319
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name2-(benzenesulfonylmethyl)-N,N-dimethylprop-2-enamide
SMILESC=C(CS(=O)(=O)c1ccccc1)C(=O)N(C)C
InChIInChI=1S/C12H15NO3S/c1-10(12(14)13(2)3)9-17(15,16)11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3
InChIKeyWARXWDXBNUYXER-UHFFFAOYSA-N
XLogP1.10
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(benzenesulfonylmethyl)-N,N-dimethylprop-2-enamide 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

N,N-dimethyl-2-[(4-methylphenyl)sulfonyl]acetamide
CID 975418
2-(benzenesulfonyl)-N-methoxy-N-methylacetamide
CID 4662404
2-(benzenesulfonyl)-N,N-diethylacetamide
CID 10332604
[(Phenylsulfonyl)acetyl]pyrrolidine
CID 21696061
N-(benzenesulfonyl)-N,2-dimethylprop-2-enamide
CID 102222059
2-(benzenesulfonyl)-N,N-dimethylacetamide
CID 13344619
2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide
CID 67011467
N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 123157285
2-fluoro-2-(3-fluorophenyl)sulfonyl-N,N-dimethylacetamide
CID 172694312
N-(3-fluorophenyl)sulfonyl-N,2-dimethylprop-2-enamide
CID 178611229
N-(4-fluorophenyl)sulfonyl-N,2-dimethylprop-2-enamide
CID 178611235
2-(benzenesulfonyl)-N,N-di(propan-2-yl)acetamide
CID 13344620

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-N,N-dimethylprop-2-enamide?
The IUPAC name of 2-(benzenesulfonylmethyl)-N,N-dimethylprop-2-enamide (CID 14296319) is 2-(benzenesulfonylmethyl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for 2-(benzenesulfonylmethyl)-N,N-dimethylprop-2-enamide is C=C(CS(=O)(=O)c1ccccc1)C(=O)N(C)C.
What is the InChIKey of 2-(benzenesulfonylmethyl)-N,N-dimethylprop-2-enamide?
The InChIKey is WARXWDXBNUYXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-10(12(14)13(2)3)9-17(15,16)11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3.
What are the key properties of 2-(benzenesulfonylmethyl)-N,N-dimethylprop-2-enamide?
2-(benzenesulfonylmethyl)-N,N-dimethylprop-2-enamide has a molecular weight of 253.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 14296319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).