4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide

C13H15N3O3S — CID 64519588

IUPAC4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)Cc2ncc[nH]2)cc1
InChIInChI=1S/C13H15N3O3S/c1-10(17)11-3-5-12(6-4-11)20(18,19)16(2)9-13-14-7-8-15-13/h3-8H,9H2,1-2H3,(H,14,15)
InChIKeyCAZQPSKUBDHJGH-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.43
Rot. Bonds5

About 4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide

4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide (PubChem CID 64519588) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
PubChem CID64519588
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)Cc2ncc[nH]2)cc1
InChIInChI=1S/C13H15N3O3S/c1-10(17)11-3-5-12(6-4-11)20(18,19)16(2)9-13-14-7-8-15-13/h3-8H,9H2,1-2H3,(H,14,15)
InChIKeyCAZQPSKUBDHJGH-UHFFFAOYSA-N
XLogP1.43
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide 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

4-(1-aminoethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64516922
4-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbenzenesulfonamide
CID 106919444
4-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64517941
4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64529323
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide
CID 64518721
3-amino-4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 115329450
6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 114613874
3-amino-4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64512733
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-sulfonamide
CID 64518479
3-(chloromethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 114279758
4-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-3-nitrobenzenesulfonamide
CID 64519441

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide (CID 64519588) is 4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ncc[nH]2)cc1.
What is the InChIKey of 4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is CAZQPSKUBDHJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-10(17)11-3-5-12(6-4-11)20(18,19)16(2)9-13-14-7-8-15-13/h3-8H,9H2,1-2H3,(H,14,15).
What are the key properties of 4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide?
4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 64519588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).