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

C24H19F3N4O3S — CID 23075821

IUPAC4-methyl-N-[3-(pyridin-3-ylmethoxy)-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(-c3cccc(C(F)(F)F)c3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C24H19F3N4O3S/c1-16-7-9-20(10-8-16)35(32,33)31-22-23(34-15-17-4-3-11-28-13-17)30-21(14-29-22)18-5-2-6-19(12-18)24(25,26)27/h2-14H,15H2,1H3,(H,29,31)
InChIKeyFRPYYIRQTBOYJI-UHFFFAOYSA-N
MW500.50 g/mol
LogP5.25
Rot. Bonds7

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

4-methyl-N-[3-(pyridin-3-ylmethoxy)-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]benzenesulfonamide (PubChem CID 23075821) has the molecular formula C24H19F3N4O3S and a molecular weight of 500.50 g/mol. Its IUPAC name is 4-methyl-N-[3-(pyridin-3-ylmethoxy)-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-(pyridin-3-ylmethoxy)-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]benzenesulfonamide
PubChem CID23075821
Molecular FormulaC24H19F3N4O3S
Molecular Weight500.50 g/mol
Exact Mass500.11
IUPAC Name4-methyl-N-[3-(pyridin-3-ylmethoxy)-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(-c3cccc(C(F)(F)F)c3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C24H19F3N4O3S/c1-16-7-9-20(10-8-16)35(32,33)31-22-23(34-15-17-4-3-11-28-13-17)30-21(14-29-22)18-5-2-6-19(12-18)24(25,26)27/h2-14H,15H2,1H3,(H,29,31)
InChIKeyFRPYYIRQTBOYJI-UHFFFAOYSA-N
XLogP5.25
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.50
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(Methoxymethyl)phenyl]-6-(pyridin-2-ylmethoxy)pyrazin-2-amine
CID 172436189
2-(4-isopropoxyphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulphonamide
CID 21186279
N-[3-[4-(methoxymethyl)phenyl]pyrazin-2-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 126473095
3-chloro-2-fluoro-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 10237577
N-[5-(3-fluoro-4-phenylphenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075736
4-methyl-N-[3-(pyridin-3-ylmethoxy)-5-[2-(trifluoromethyl)phenyl]pyrazin-2-yl]benzenesulfonamide
CID 23075786
N-[5-(2-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075787
4-fluoro-N-[3-(pyridin-3-ylmethoxy)quinoxalin-2-yl]benzenesulfonamide
CID 23075789
N-[5-(2,4-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075825
4-methyl-N-[3-(pyridin-3-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzenesulfonamide
CID 23075857
4-fluoro-N-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075975
N-[5-(3-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23076037

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(pyridin-3-ylmethoxy)-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-(pyridin-3-ylmethoxy)-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]benzenesulfonamide (CID 23075821) is 4-methyl-N-[3-(pyridin-3-ylmethoxy)-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-(pyridin-3-ylmethoxy)-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-(pyridin-3-ylmethoxy)-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc(-c3cccc(C(F)(F)F)c3)nc2OCc2cccnc2)cc1.
What is the InChIKey of 4-methyl-N-[3-(pyridin-3-ylmethoxy)-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]benzenesulfonamide?
The InChIKey is FRPYYIRQTBOYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3S/c1-16-7-9-20(10-8-16)35(32,33)31-22-23(34-15-17-4-3-11-28-13-17)30-21(14-29-22)18-5-2-6-19(12-18)24(25,26)27/h2-14H,15H2,1H3,(H,29,31).
What are the key properties of 4-methyl-N-[3-(pyridin-3-ylmethoxy)-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]benzenesulfonamide?
4-methyl-N-[3-(pyridin-3-ylmethoxy)-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]benzenesulfonamide has a molecular weight of 500.50 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(pyridin-3-ylmethoxy)-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23075821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).