4-methyl-N-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide

C25H20N4O3S — CID 71092379

IUPAC4-methyl-N-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nccn3c(-c4ccccc4Oc4ccccc4)cnc23)cc1
InChIInChI=1S/C25H20N4O3S/c1-18-11-13-20(14-12-18)33(30,31)28-24-25-27-17-22(29(25)16-15-26-24)21-9-5-6-10-23(21)32-19-7-3-2-4-8-19/h2-17H,1H3,(H,26,28)
InChIKeyCAYUNQHNDAHQPU-UHFFFAOYSA-N
MW456.53 g/mol
LogP5.30
Rot. Bonds6

About 4-methyl-N-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide

4-methyl-N-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide (PubChem CID 71092379) has the molecular formula C25H20N4O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is 4-methyl-N-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide
PubChem CID71092379
Molecular FormulaC25H20N4O3S
Molecular Weight456.53 g/mol
Exact Mass456.13
IUPAC Name4-methyl-N-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nccn3c(-c4ccccc4Oc4ccccc4)cnc23)cc1
InChIInChI=1S/C25H20N4O3S/c1-18-11-13-20(14-12-18)33(30,31)28-24-25-27-17-22(29(25)16-15-26-24)21-9-5-6-10-23(21)32-19-7-3-2-4-8-19/h2-17H,1H3,(H,26,28)
InChIKeyCAYUNQHNDAHQPU-UHFFFAOYSA-N
XLogP5.30
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.53
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide (CID 71092379) is 4-methyl-N-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nccn3c(-c4ccccc4Oc4ccccc4)cnc23)cc1.
What is the InChIKey of 4-methyl-N-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide?
The InChIKey is CAYUNQHNDAHQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3S/c1-18-11-13-20(14-12-18)33(30,31)28-24-25-27-17-22(29(25)16-15-26-24)21-9-5-6-10-23(21)32-19-7-3-2-4-8-19/h2-17H,1H3,(H,26,28).
What are the key properties of 4-methyl-N-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide?
4-methyl-N-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide has a molecular weight of 456.53 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]benzenesulfonamide is sourced from PubChem (CID 71092379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).