4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide

C19H21N3O2S — CID 102352481

IUPAC4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(Cc2nccn2C)c2ccccc2)cc1
InChIInChI=1S/C19H21N3O2S/c1-15-8-10-17(11-9-15)25(23,24)21-18(16-6-4-3-5-7-16)14-19-20-12-13-22(19)2/h3-13,18,21H,14H2,1-2H3
InChIKeySDNGDCGUDSKFJI-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.99
Rot. Bonds6

About 4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide

4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide (PubChem CID 102352481) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide
PubChem CID102352481
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(Cc2nccn2C)c2ccccc2)cc1
InChIInChI=1S/C19H21N3O2S/c1-15-8-10-17(11-9-15)25(23,24)21-18(16-6-4-3-5-7-16)14-19-20-12-13-22(19)2/h3-13,18,21H,14H2,1-2H3
InChIKeySDNGDCGUDSKFJI-UHFFFAOYSA-N
XLogP2.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]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

4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110440947
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
N-[3-(1-cyclopropylimidazol-2-yl)sulfanyl-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 55508857
4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 71987373
3-(1-methylimidazol-2-yl)-2-phenylpropanoic acid
CID 81008633
N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide
CID 97218361
N-(3-chloro-1-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 101424945
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
N-[(1S)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethyl]-4-methylbenzenesulfonamide
CID 11360845
4-methyl-N-[1-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propyl]benzenesulfonamide
CID 18130922

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide (CID 102352481) is 4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(Cc2nccn2C)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide?
The InChIKey is SDNGDCGUDSKFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-15-8-10-17(11-9-15)25(23,24)21-18(16-6-4-3-5-7-16)14-19-20-12-13-22(19)2/h3-13,18,21H,14H2,1-2H3.
What are the key properties of 4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide?
4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 102352481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).