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

C24H20N6O2S — CID 25270632

IUPAC4-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide
SMILESCc1cccc(-c2[nH]c(Cc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C24H20N6O2S/c1-15-3-2-4-20(28-15)24-23(17-7-10-19-21(14-17)27-12-11-26-19)29-22(30-24)13-16-5-8-18(9-6-16)33(25,31)32/h2-12,14H,13H2,1H3,(H,29,30)(H2,25,31,32)
InChIKeyPRNOWVJWFNUVNY-UHFFFAOYSA-N
MW456.53 g/mol
LogP3.63
Rot. Bonds5

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

4-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide (PubChem CID 25270632) has the molecular formula C24H20N6O2S and a molecular weight of 456.53 g/mol. Its IUPAC name is 4-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide
PubChem CID25270632
Molecular FormulaC24H20N6O2S
Molecular Weight456.53 g/mol
Exact Mass456.14
IUPAC Name4-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide
SMILESCc1cccc(-c2[nH]c(Cc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C24H20N6O2S/c1-15-3-2-4-20(28-15)24-23(17-7-10-19-21(14-17)27-12-11-26-19)29-22(30-24)13-16-5-8-18(9-6-16)33(25,31)32/h2-12,14H,13H2,1H3,(H,29,30)(H2,25,31,32)
InChIKeyPRNOWVJWFNUVNY-UHFFFAOYSA-N
XLogP3.63
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide (CID 25270632) is 4-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide is Cc1cccc(-c2[nH]c(Cc3ccc(S(N)(=O)=O)cc3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 4-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is PRNOWVJWFNUVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2S/c1-15-3-2-4-20(28-15)24-23(17-7-10-19-21(14-17)27-12-11-26-19)29-22(30-24)13-16-5-8-18(9-6-16)33(25,31)32/h2-12,14H,13H2,1H3,(H,29,30)(H2,25,31,32).
What are the key properties of 4-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide?
4-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 456.53 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 25270632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).