2-(benzenesulfonylmethyl)-3-methylquinoxaline

C16H14N2O2S — CID 134716312

IUPAC2-(benzenesulfonylmethyl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14N2O2S/c1-12-16(18-15-10-6-5-9-14(15)17-12)11-21(19,20)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyTWDQMJPTBKIANQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.91
Rot. Bonds3

About 2-(benzenesulfonylmethyl)-3-methylquinoxaline

2-(benzenesulfonylmethyl)-3-methylquinoxaline (PubChem CID 134716312) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-3-methylquinoxaline.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-3-methylquinoxaline
PubChem CID134716312
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-(benzenesulfonylmethyl)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14N2O2S/c1-12-16(18-15-10-6-5-9-14(15)17-12)11-21(19,20)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyTWDQMJPTBKIANQ-UHFFFAOYSA-N
XLogP2.91
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(benzenesulfonylmethyl)-3-methylquinoxaline 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

CID 16731939
CID 16731939
CID 9818466
CID 9818466
CID 899293
CID 899293
CID 375022
CID 375022
CID 135300289
CID 135300289
CID 3079965
CID 3079965
CID 42894575
CID 42894575
CID 44269213
CID 44269213
CID 44269260
CID 44269260
CID 164620397
CID 164620397
CID 172433648
CID 172433648
CID 188227
CID 188227

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-3-methylquinoxaline?
The IUPAC name of 2-(benzenesulfonylmethyl)-3-methylquinoxaline (CID 134716312) is 2-(benzenesulfonylmethyl)-3-methylquinoxaline.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-3-methylquinoxaline?
The canonical SMILES for 2-(benzenesulfonylmethyl)-3-methylquinoxaline is Cc1nc2ccccc2nc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-3-methylquinoxaline?
The InChIKey is TWDQMJPTBKIANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-12-16(18-15-10-6-5-9-14(15)17-12)11-21(19,20)13-7-3-2-4-8-13/h2-10H,11H2,1H3.
What are the key properties of 2-(benzenesulfonylmethyl)-3-methylquinoxaline?
2-(benzenesulfonylmethyl)-3-methylquinoxaline has a molecular weight of 298.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-3-methylquinoxaline is sourced from PubChem (CID 134716312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).