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

C23H20N4O3S — CID 23075719

IUPAC4-methyl-N-[5-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(-c3ccccc3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C23H20N4O3S/c1-17-9-11-20(12-10-17)31(28,29)27-22-23(30-16-18-6-5-13-24-14-18)26-21(15-25-22)19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,25,27)
InChIKeySMRDZUHRFUIZHW-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.23
Rot. Bonds7

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

4-methyl-N-[5-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (PubChem CID 23075719) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 4-methyl-N-[5-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[5-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
PubChem CID23075719
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name4-methyl-N-[5-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(-c3ccccc3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C23H20N4O3S/c1-17-9-11-20(12-10-17)31(28,29)27-22-23(30-16-18-6-5-13-24-14-18)26-21(15-25-22)19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,25,27)
InChIKeySMRDZUHRFUIZHW-UHFFFAOYSA-N
XLogP4.23
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[5-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (CID 23075719) is 4-methyl-N-[5-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[5-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[5-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc(-c3ccccc3)nc2OCc2cccnc2)cc1.
What is the InChIKey of 4-methyl-N-[5-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is SMRDZUHRFUIZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-17-9-11-20(12-10-17)31(28,29)27-22-23(30-16-18-6-5-13-24-14-18)26-21(15-25-22)19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,25,27).
What are the key properties of 4-methyl-N-[5-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
4-methyl-N-[5-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 432.51 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23075719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).