4-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide

C25H22N6O2S — CID 25270633

IUPAC4-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide
SMILESCCc1cccc(-c2[nH]c(Cc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C25H22N6O2S/c1-2-18-4-3-5-21(29-18)25-24(17-8-11-20-22(15-17)28-13-12-27-20)30-23(31-25)14-16-6-9-19(10-7-16)34(26,32)33/h3-13,15H,2,14H2,1H3,(H,30,31)(H2,26,32,33)
InChIKeyAGXVZJLEMZVVQA-UHFFFAOYSA-N
MW470.56 g/mol
LogP3.88
Rot. Bonds6

About 4-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide

4-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide (PubChem CID 25270633) has the molecular formula C25H22N6O2S and a molecular weight of 470.56 g/mol. Its IUPAC name is 4-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide
PubChem CID25270633
Molecular FormulaC25H22N6O2S
Molecular Weight470.56 g/mol
Exact Mass470.15
IUPAC Name4-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide
SMILESCCc1cccc(-c2[nH]c(Cc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C25H22N6O2S/c1-2-18-4-3-5-21(29-18)25-24(17-8-11-20-22(15-17)28-13-12-27-20)30-23(31-25)14-16-6-9-19(10-7-16)34(26,32)33/h3-13,15H,2,14H2,1H3,(H,30,31)(H2,26,32,33)
InChIKeyAGXVZJLEMZVVQA-UHFFFAOYSA-N
XLogP3.88
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide (CID 25270633) is 4-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide is CCc1cccc(-c2[nH]c(Cc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 4-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is AGXVZJLEMZVVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2S/c1-2-18-4-3-5-21(29-18)25-24(17-8-11-20-22(15-17)28-13-12-27-20)30-23(31-25)14-16-6-9-19(10-7-16)34(26,32)33/h3-13,15H,2,14H2,1H3,(H,30,31)(H2,26,32,33).
What are the key properties of 4-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
4-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 470.56 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 25270633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).