4-methyl-N-[5-(2-methylsulfanylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide

C24H22N4O3S2 — CID 23075715

IUPAC4-methyl-N-[5-(2-methylsulfanylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCSc1ccccc1-c1cnc(NS(=O)(=O)c2ccc(C)cc2)c(OCc2cccnc2)n1
InChIInChI=1S/C24H22N4O3S2/c1-17-9-11-19(12-10-17)33(29,30)28-23-24(31-16-18-6-5-13-25-14-18)27-21(15-26-23)20-7-3-4-8-22(20)32-2/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyWDLGKSVOPPGXFU-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.95
Rot. Bonds8

About 4-methyl-N-[5-(2-methylsulfanylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide

4-methyl-N-[5-(2-methylsulfanylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (PubChem CID 23075715) has the molecular formula C24H22N4O3S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 4-methyl-N-[5-(2-methylsulfanylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[5-(2-methylsulfanylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
PubChem CID23075715
Molecular FormulaC24H22N4O3S2
Molecular Weight478.60 g/mol
Exact Mass478.11
IUPAC Name4-methyl-N-[5-(2-methylsulfanylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCSc1ccccc1-c1cnc(NS(=O)(=O)c2ccc(C)cc2)c(OCc2cccnc2)n1
InChIInChI=1S/C24H22N4O3S2/c1-17-9-11-19(12-10-17)33(29,30)28-23-24(31-16-18-6-5-13-25-14-18)27-21(15-26-23)20-7-3-4-8-22(20)32-2/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyWDLGKSVOPPGXFU-UHFFFAOYSA-N
XLogP4.95
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(2-methylsulfanylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[5-(2-methylsulfanylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (CID 23075715) is 4-methyl-N-[5-(2-methylsulfanylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[5-(2-methylsulfanylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[5-(2-methylsulfanylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is CSc1ccccc1-c1cnc(NS(=O)(=O)c2ccc(C)cc2)c(OCc2cccnc2)n1.
What is the InChIKey of 4-methyl-N-[5-(2-methylsulfanylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is WDLGKSVOPPGXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S2/c1-17-9-11-19(12-10-17)33(29,30)28-23-24(31-16-18-6-5-13-25-14-18)27-21(15-26-23)20-7-3-4-8-22(20)32-2/h3-15H,16H2,1-2H3,(H,26,28).
What are the key properties of 4-methyl-N-[5-(2-methylsulfanylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
4-methyl-N-[5-(2-methylsulfanylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 478.60 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(2-methylsulfanylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23075715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).