N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide

C17H17N3O2S — CID 110869539

IUPACN,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc3nccnc3c2)c(C)c1
InChIInChI=1S/C17H17N3O2S/c1-12-4-7-17(13(2)10-12)23(21,22)20(3)14-5-6-15-16(11-14)19-9-8-18-15/h4-11H,1-3H3
InChIKeyHSOVIDBQWOIHFG-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.07
Rot. Bonds3

About N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide

N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide (PubChem CID 110869539) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide.

Molecular Properties

Compound NameN,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide
PubChem CID110869539
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc3nccnc3c2)c(C)c1
InChIInChI=1S/C17H17N3O2S/c1-12-4-7-17(13(2)10-12)23(21,22)20(3)14-5-6-15-16(11-14)19-9-8-18-15/h4-11H,1-3H3
InChIKeyHSOVIDBQWOIHFG-UHFFFAOYSA-N
XLogP3.07
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide?
The IUPAC name of N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide (CID 110869539) is N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide.
What is the SMILES notation for N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide?
The canonical SMILES for N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc3nccnc3c2)c(C)c1.
What is the InChIKey of N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide?
The InChIKey is HSOVIDBQWOIHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-4-7-17(13(2)10-12)23(21,22)20(3)14-5-6-15-16(11-14)19-9-8-18-15/h4-11H,1-3H3.
What are the key properties of N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide?
N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-N-quinoxalin-6-ylbenzenesulfonamide is sourced from PubChem (CID 110869539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).