N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-4-methylbenzenesulfonamide

C21H20N4O4S — CID 71092273

IUPACN-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2cn3ccnc(NS(=O)(=O)c4ccc(C)cc4)c3n2)cc1OC
InChIInChI=1S/C21H20N4O4S/c1-14-4-7-16(8-5-14)30(26,27)24-20-21-23-17(13-25(21)11-10-22-20)15-6-9-18(28-2)19(12-15)29-3/h4-13H,1-3H3,(H,22,24)
InChIKeyVKLLMDLCWOEMQF-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.52
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-4-methylbenzenesulfonamide

N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-4-methylbenzenesulfonamide (PubChem CID 71092273) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-4-methylbenzenesulfonamide
PubChem CID71092273
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC NameN-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2cn3ccnc(NS(=O)(=O)c4ccc(C)cc4)c3n2)cc1OC
InChIInChI=1S/C21H20N4O4S/c1-14-4-7-16(8-5-14)30(26,27)24-20-21-23-17(13-25(21)11-10-22-20)15-6-9-18(28-2)19(12-15)29-3/h4-13H,1-3H3,(H,22,24)
InChIKeyVKLLMDLCWOEMQF-UHFFFAOYSA-N
XLogP3.52
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-4-methylbenzenesulfonamide (CID 71092273) is N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-4-methylbenzenesulfonamide is COc1ccc(-c2cn3ccnc(NS(=O)(=O)c4ccc(C)cc4)c3n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-4-methylbenzenesulfonamide?
The InChIKey is VKLLMDLCWOEMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-14-4-7-16(8-5-14)30(26,27)24-20-21-23-17(13-25(21)11-10-22-20)15-6-9-18(28-2)19(12-15)29-3/h4-13H,1-3H3,(H,22,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-4-methylbenzenesulfonamide?
N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-4-methylbenzenesulfonamide has a molecular weight of 424.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71092273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).