7-(3-phenoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C18H17N3O3S — CID 56887259

IUPAC7-(3-phenoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESO=S(=O)(c1cccc(Oc2ccccc2)c1)N1CCn2cncc2C1
InChIInChI=1S/C18H17N3O3S/c22-25(23,21-10-9-20-14-19-12-15(20)13-21)18-8-4-7-17(11-18)24-16-5-2-1-3-6-16/h1-8,11-12,14H,9-10,13H2
InChIKeyHGUPHJXPJNLHGT-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.88
Rot. Bonds4

About 7-(3-phenoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

7-(3-phenoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 56887259) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 7-(3-phenoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-(3-phenoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID56887259
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name7-(3-phenoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESO=S(=O)(c1cccc(Oc2ccccc2)c1)N1CCn2cncc2C1
InChIInChI=1S/C18H17N3O3S/c22-25(23,21-10-9-20-14-19-12-15(20)13-21)18-8-4-7-17(11-18)24-16-5-2-1-3-6-16/h1-8,11-12,14H,9-10,13H2
InChIKeyHGUPHJXPJNLHGT-UHFFFAOYSA-N
XLogP2.88
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-phenoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 7-(3-phenoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 56887259) is 7-(3-phenoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 7-(3-phenoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 7-(3-phenoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is O=S(=O)(c1cccc(Oc2ccccc2)c1)N1CCn2cncc2C1.
What is the InChIKey of 7-(3-phenoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is HGUPHJXPJNLHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c22-25(23,21-10-9-20-14-19-12-15(20)13-21)18-8-4-7-17(11-18)24-16-5-2-1-3-6-16/h1-8,11-12,14H,9-10,13H2.
What are the key properties of 7-(3-phenoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
7-(3-phenoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 355.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-phenoxyphenyl)sulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 56887259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).