3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide

C20H15F3N4O3S — CID 164903500

IUPAC3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ncc3cnccn23)c1
InChIInChI=1S/C20H15F3N4O3S/c1-24-31(28,29)16-6-7-18(30-15-4-2-13(3-5-15)20(21,22)23)17(10-16)19-26-12-14-11-25-8-9-27(14)19/h2-12,24H,1H3
InChIKeyKBYXHCYYCJFMQZ-UHFFFAOYSA-N
MW448.43 g/mol
LogP4.12
Rot. Bonds5

About 3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide

3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide (PubChem CID 164903500) has the molecular formula C20H15F3N4O3S and a molecular weight of 448.43 g/mol. Its IUPAC name is 3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
PubChem CID164903500
Molecular FormulaC20H15F3N4O3S
Molecular Weight448.43 g/mol
Exact Mass448.08
IUPAC Name3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ncc3cnccn23)c1
InChIInChI=1S/C20H15F3N4O3S/c1-24-31(28,29)16-6-7-18(30-15-4-2-13(3-5-15)20(21,22)23)17(10-16)19-26-12-14-11-25-8-9-27(14)19/h2-12,24H,1H3
InChIKeyKBYXHCYYCJFMQZ-UHFFFAOYSA-N
XLogP4.12
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164903602
N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 155342852
3-(6-methoxy-1H-benzimidazol-2-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164903509
N-methyl-3-[(6S)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049351
N-methyl-3-[(6R)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049373
3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049334
4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide
CID 139341564
4-(4-chloro-2-imidazo[1,5-a]pyrazin-3-ylphenoxy)-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71559364
5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid
CID 155342907
5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzamide
CID 155343062
3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide
CID 164903496
N-methyl-3-(1-propan-2-ylimidazol-4-yl)-1-[4-(trifluoromethyl)phenyl]indole-5-sulfonamide
CID 171514560

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The IUPAC name of 3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide (CID 164903500) is 3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for 3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The canonical SMILES for 3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide is CNS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2ncc3cnccn23)c1.
What is the InChIKey of 3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The InChIKey is KBYXHCYYCJFMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3S/c1-24-31(28,29)16-6-7-18(30-15-4-2-13(3-5-15)20(21,22)23)17(10-16)19-26-12-14-11-25-8-9-27(14)19/h2-12,24H,1H3.
What are the key properties of 3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide has a molecular weight of 448.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,5-a]pyrazin-3-yl-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 164903500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).