4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide

C25H21N5O2S — CID 58617066

IUPAC4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(-c4ccccc4)cn4ccnc34)cc2)cc1
InChIInChI=1S/C25H21N5O2S/c1-18-7-13-22(14-8-18)33(31,32)29-21-11-9-20(10-12-21)27-24-25-26-15-16-30(25)17-23(28-24)19-5-3-2-4-6-19/h2-17,29H,1H3,(H,27,28)
InChIKeyHKJOIHNYCADHHS-UHFFFAOYSA-N
MW455.54 g/mol
LogP5.25
Rot. Bonds6

About 4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide

4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide (PubChem CID 58617066) has the molecular formula C25H21N5O2S and a molecular weight of 455.54 g/mol. Its IUPAC name is 4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide
PubChem CID58617066
Molecular FormulaC25H21N5O2S
Molecular Weight455.54 g/mol
Exact Mass455.14
IUPAC Name4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(-c4ccccc4)cn4ccnc34)cc2)cc1
InChIInChI=1S/C25H21N5O2S/c1-18-7-13-22(14-8-18)33(31,32)29-21-11-9-20(10-12-21)27-24-25-26-15-16-30(25)17-23(28-24)19-5-3-2-4-6-19/h2-17,29H,1H3,(H,27,28)
InChIKeyHKJOIHNYCADHHS-UHFFFAOYSA-N
XLogP5.25
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.54
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide (CID 58617066) is 4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(-c4ccccc4)cn4ccnc34)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is HKJOIHNYCADHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2S/c1-18-7-13-22(14-8-18)33(31,32)29-21-11-9-20(10-12-21)27-24-25-26-15-16-30(25)17-23(28-24)19-5-3-2-4-6-19/h2-17,29H,1H3,(H,27,28).
What are the key properties of 4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide?
4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 455.54 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 58617066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).