N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide

C22H19N3O3S — CID 163248782

IUPACN-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1cccc(C)c1Oc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19N3O3S/c1-15-9-8-10-16(2)20(15)28-22-21(23-18-13-6-7-14-19(18)24-22)25-29(26,27)17-11-4-3-5-12-17/h3-14H,1-2H3,(H,23,25)
InChIKeyCRJUBABBBUHXSF-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.84
Rot. Bonds5

About N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide

N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 163248782) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide
PubChem CID163248782
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide
SMILESCc1cccc(C)c1Oc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C22H19N3O3S/c1-15-9-8-10-16(2)20(15)28-22-21(23-18-13-6-7-14-19(18)24-22)25-29(26,27)17-11-4-3-5-12-17/h3-14H,1-2H3,(H,23,25)
InChIKeyCRJUBABBBUHXSF-UHFFFAOYSA-N
XLogP4.84
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(2,6-dimethylphenoxy)quinoxalin-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

Related Compounds

N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide
CID 2828955
N-[3-(3-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 2303591
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
4-methyl-N-[3-[2-(N-methylanilino)ethoxy]quinoxalin-2-yl]benzenesulfonamide
CID 23076281
4-methyl-N-[3-(2-pyridin-4-ylethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23076027
N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075817
N-[3-(2-cyclopropylethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075854
N-[3-(4-methoxyphenyl)-4-methylquinolin-2-yl]benzenesulfonamide
CID 166443739
N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 2405355
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide
CID 141482671
N-[3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]quinoxalin-2-yl]benzenesulfonamide
CID 133308480

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide (CID 163248782) is N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide is Cc1cccc(C)c1Oc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is CRJUBABBBUHXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-15-9-8-10-16(2)20(15)28-22-21(23-18-13-6-7-14-19(18)24-22)25-29(26,27)17-11-4-3-5-12-17/h3-14H,1-2H3,(H,23,25).
What are the key properties of N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylphenoxy)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 163248782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).