N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide

C18H15N5O2S2 — CID 2318690

IUPACN-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide
SMILESCn1ccnc1Sc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15N5O2S2/c1-23-12-11-19-18(23)26-17-16(20-14-9-5-6-10-15(14)21-17)22-27(24,25)13-7-3-2-4-8-13/h2-12H,1H3,(H,20,22)
InChIKeyIJWFQHZDXNNSDK-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.32
Rot. Bonds5

About N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide

N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide (PubChem CID 2318690) has the molecular formula C18H15N5O2S2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide
PubChem CID2318690
Molecular FormulaC18H15N5O2S2
Molecular Weight397.49 g/mol
Exact Mass397.07
IUPAC NameN-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide
SMILESCn1ccnc1Sc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15N5O2S2/c1-23-12-11-19-18(23)26-17-16(20-14-9-5-6-10-15(14)21-17)22-27(24,25)13-7-3-2-4-8-13/h2-12H,1H3,(H,20,22)
InChIKeyIJWFQHZDXNNSDK-UHFFFAOYSA-N
XLogP3.32
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide 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-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide (CID 2318690) is N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide is Cn1ccnc1Sc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide?
The InChIKey is IJWFQHZDXNNSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S2/c1-23-12-11-19-18(23)26-17-16(20-14-9-5-6-10-15(14)21-17)22-27(24,25)13-7-3-2-4-8-13/h2-12H,1H3,(H,20,22).
What are the key properties of N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide?
N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide has a molecular weight of 397.49 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylimidazol-2-yl)sulfanylquinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 2318690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).