4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide

C16H15N3O2S — CID 110869626

IUPAC4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H15N3O2S/c1-12-6-8-14(9-7-12)22(20,21)18-11-13-10-17-15-4-2-3-5-16(15)19-13/h2-10,18H,11H2,1H3
InChIKeyWKJBCFLAZUNJHK-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.42
Rot. Bonds4

About 4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide

4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide (PubChem CID 110869626) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
PubChem CID110869626
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cnc3ccccc3n2)cc1
InChIInChI=1S/C16H15N3O2S/c1-12-6-8-14(9-7-12)22(20,21)18-11-13-10-17-15-4-2-3-5-16(15)19-13/h2-10,18H,11H2,1H3
InChIKeyWKJBCFLAZUNJHK-UHFFFAOYSA-N
XLogP2.42
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-(quinoxalin-2-ylmethyl)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-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
CID 110869633
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide
CID 131931964
N-(4-methylphenyl)-4-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109060879
2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline
CID 43765885
4-methyl-N-[[9-[[(4-methylphenyl)sulfonylamino]methyl]-4,7-diphenyl-1,10-phenanthrolin-2-yl]methyl]benzenesulfonamide
CID 19783564
2-(methylsulfonylmethyl)quinoxaline
CID 57254192
4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide
CID 129271456
3-methyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
CID 110733832
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 110728120
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide
CID 121122925

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide (CID 110869626) is 4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cnc3ccccc3n2)cc1.
What is the InChIKey of 4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide?
The InChIKey is WKJBCFLAZUNJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-12-6-8-14(9-7-12)22(20,21)18-11-13-10-17-15-4-2-3-5-16(15)19-13/h2-10,18H,11H2,1H3.
What are the key properties of 4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide?
4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110869626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).