N-[5-(2-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide

C23H19FN4O3S — CID 23075787

IUPACN-[5-(2-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(-c3ccccc3F)nc2OCc2cccnc2)cc1
InChIInChI=1S/C23H19FN4O3S/c1-16-8-10-18(11-9-16)32(29,30)28-22-23(31-15-17-5-4-12-25-13-17)27-21(14-26-22)19-6-2-3-7-20(19)24/h2-14H,15H2,1H3,(H,26,28)
InChIKeyUJMHHGSXJFUYDE-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.37
Rot. Bonds7

About N-[5-(2-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide

N-[5-(2-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 23075787) has the molecular formula C23H19FN4O3S and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
PubChem CID23075787
Molecular FormulaC23H19FN4O3S
Molecular Weight450.50 g/mol
Exact Mass450.12
IUPAC NameN-[5-(2-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(-c3ccccc3F)nc2OCc2cccnc2)cc1
InChIInChI=1S/C23H19FN4O3S/c1-16-8-10-18(11-9-16)32(29,30)28-22-23(31-15-17-5-4-12-25-13-17)27-21(14-26-22)19-6-2-3-7-20(19)24/h2-14H,15H2,1H3,(H,26,28)
InChIKeyUJMHHGSXJFUYDE-UHFFFAOYSA-N
XLogP4.37
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-(2-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide (CID 23075787) is N-[5-(2-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc(-c3ccccc3F)nc2OCc2cccnc2)cc1.
What is the InChIKey of N-[5-(2-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is UJMHHGSXJFUYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3S/c1-16-8-10-18(11-9-16)32(29,30)28-22-23(31-15-17-5-4-12-25-13-17)27-21(14-26-22)19-6-2-3-7-20(19)24/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of N-[5-(2-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
N-[5-(2-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 450.50 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 23075787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).