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

C25H22N6O2S — CID 25269949

IUPAC4-[2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide
SMILESCc1cccc(-c2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C25H22N6O2S/c1-16-3-2-4-21(29-16)25-24(18-8-11-20-22(15-18)28-14-13-27-20)30-23(31-25)12-7-17-5-9-19(10-6-17)34(26,32)33/h2-6,8-11,13-15H,7,12H2,1H3,(H,30,31)(H2,26,32,33)
InChIKeyWVWBKRNHTHKXBU-UHFFFAOYSA-N
MW470.56 g/mol
LogP3.82
Rot. Bonds6

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

4-[2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 25269949) has the molecular formula C25H22N6O2S and a molecular weight of 470.56 g/mol. Its IUPAC name is 4-[2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide
PubChem CID25269949
Molecular FormulaC25H22N6O2S
Molecular Weight470.56 g/mol
Exact Mass470.15
IUPAC Name4-[2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide
SMILESCc1cccc(-c2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C25H22N6O2S/c1-16-3-2-4-21(29-16)25-24(18-8-11-20-22(15-18)28-14-13-27-20)30-23(31-25)12-7-17-5-9-19(10-6-17)34(26,32)33/h2-6,8-11,13-15H,7,12H2,1H3,(H,30,31)(H2,26,32,33)
InChIKeyWVWBKRNHTHKXBU-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide (CID 25269949) is 4-[2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide is Cc1cccc(-c2[nH]c(CCc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 4-[2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is WVWBKRNHTHKXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2S/c1-16-3-2-4-21(29-16)25-24(18-8-11-20-22(15-18)28-14-13-27-20)30-23(31-25)12-7-17-5-9-19(10-6-17)34(26,32)33/h2-6,8-11,13-15H,7,12H2,1H3,(H,30,31)(H2,26,32,33).
What are the key properties of 4-[2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide?
4-[2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 470.56 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 25269949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).