2-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)phenyl]sulfonylpiperazin-1-yl]pyrazine

C28H28N4O4S — CID 56955953

IUPAC2-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)phenyl]sulfonylpiperazin-1-yl]pyrazine
SMILESCOc1ccc(-c2cccc(S(=O)(=O)N3CCN(c4nccnc4-c4ccc(OC)cc4)CC3)c2)cc1
InChIInChI=1S/C28H28N4O4S/c1-35-24-10-6-21(7-11-24)23-4-3-5-26(20-23)37(33,34)32-18-16-31(17-19-32)28-27(29-14-15-30-28)22-8-12-25(36-2)13-9-22/h3-15,20H,16-19H2,1-2H3
InChIKeyIQVDMFYVPSHFEP-UHFFFAOYSA-N
MW516.62 g/mol
LogP4.34
Rot. Bonds7

About 2-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)phenyl]sulfonylpiperazin-1-yl]pyrazine

2-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)phenyl]sulfonylpiperazin-1-yl]pyrazine (PubChem CID 56955953) has the molecular formula C28H28N4O4S and a molecular weight of 516.62 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)phenyl]sulfonylpiperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)phenyl]sulfonylpiperazin-1-yl]pyrazine
PubChem CID56955953
Molecular FormulaC28H28N4O4S
Molecular Weight516.62 g/mol
Exact Mass516.18
IUPAC Name2-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)phenyl]sulfonylpiperazin-1-yl]pyrazine
SMILESCOc1ccc(-c2cccc(S(=O)(=O)N3CCN(c4nccnc4-c4ccc(OC)cc4)CC3)c2)cc1
InChIInChI=1S/C28H28N4O4S/c1-35-24-10-6-21(7-11-24)23-4-3-5-26(20-23)37(33,34)32-18-16-31(17-19-32)28-27(29-14-15-30-28)22-8-12-25(36-2)13-9-22/h3-15,20H,16-19H2,1-2H3
InChIKeyIQVDMFYVPSHFEP-UHFFFAOYSA-N
XLogP4.34
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.62
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)phenyl]sulfonylpiperazin-1-yl]pyrazine?
The IUPAC name of 2-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)phenyl]sulfonylpiperazin-1-yl]pyrazine (CID 56955953) is 2-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)phenyl]sulfonylpiperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)phenyl]sulfonylpiperazin-1-yl]pyrazine?
The canonical SMILES for 2-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)phenyl]sulfonylpiperazin-1-yl]pyrazine is COc1ccc(-c2cccc(S(=O)(=O)N3CCN(c4nccnc4-c4ccc(OC)cc4)CC3)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)phenyl]sulfonylpiperazin-1-yl]pyrazine?
The InChIKey is IQVDMFYVPSHFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4S/c1-35-24-10-6-21(7-11-24)23-4-3-5-26(20-23)37(33,34)32-18-16-31(17-19-32)28-27(29-14-15-30-28)22-8-12-25(36-2)13-9-22/h3-15,20H,16-19H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)phenyl]sulfonylpiperazin-1-yl]pyrazine?
2-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)phenyl]sulfonylpiperazin-1-yl]pyrazine has a molecular weight of 516.62 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)phenyl]sulfonylpiperazin-1-yl]pyrazine is sourced from PubChem (CID 56955953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).