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

C23H19FN4O3S — CID 23076037

IUPACN-[5-(3-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(-c3cccc(F)c3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C23H19FN4O3S/c1-16-7-9-20(10-8-16)32(29,30)28-22-23(31-15-17-4-3-11-25-13-17)27-21(14-26-22)18-5-2-6-19(24)12-18/h2-14H,15H2,1H3,(H,26,28)
InChIKeyZPOBGVVFXUTSMT-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.37
Rot. Bonds7

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

N-[5-(3-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 23076037) has the molecular formula C23H19FN4O3S and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
PubChem CID23076037
Molecular FormulaC23H19FN4O3S
Molecular Weight450.50 g/mol
Exact Mass450.12
IUPAC NameN-[5-(3-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(-c3cccc(F)c3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C23H19FN4O3S/c1-16-7-9-20(10-8-16)32(29,30)28-22-23(31-15-17-4-3-11-25-13-17)27-21(14-26-22)18-5-2-6-19(24)12-18/h2-14H,15H2,1H3,(H,26,28)
InChIKeyZPOBGVVFXUTSMT-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-(3-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-(3-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide (CID 23076037) is N-[5-(3-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc(-c3cccc(F)c3)nc2OCc2cccnc2)cc1.
What is the InChIKey of N-[5-(3-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is ZPOBGVVFXUTSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3S/c1-16-7-9-20(10-8-16)32(29,30)28-22-23(31-15-17-4-3-11-25-13-17)27-21(14-26-22)18-5-2-6-19(24)12-18/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of N-[5-(3-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
N-[5-(3-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-(3-fluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 23076037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).