4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

C13H17NO3S — CID 115776811

IUPAC4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C13H17NO3S/c1-10(2)9-14(4)18(16,17)13-7-5-12(6-8-13)11(3)15/h5-8H,1,9H2,2-4H3
InChIKeyHIFDPOVHEDTWMP-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.09
Rot. Bonds5

About 4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 115776811) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID115776811
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C13H17NO3S/c1-10(2)9-14(4)18(16,17)13-7-5-12(6-8-13)11(3)15/h5-8H,1,9H2,2-4H3
InChIKeyHIFDPOVHEDTWMP-UHFFFAOYSA-N
XLogP2.09
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide 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

methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 3685152
ethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 60731070
(4-methoxyphenyl) 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 24650561
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 55584143
(4-fluorophenyl) 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 24650509
4-acetyl-N-(2,2-dimethoxyethyl)-N-methylbenzenesulfonamide
CID 3724820
4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103731031
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide
CID 55551169
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-(4-tert-butylphenyl)acetamide
CID 7919004
(4-fluorophenyl)methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 46529378
2-phenylethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 55539189
(4-propoxyphenyl) 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 36569460

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 115776811) is 4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is HIFDPOVHEDTWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-10(2)9-14(4)18(16,17)13-7-5-12(6-8-13)11(3)15/h5-8H,1,9H2,2-4H3.
What are the key properties of 4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 115776811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).