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

C23H18F2N4O3S — CID 23076185

IUPACN-[5-(3,5-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(-c3cc(F)cc(F)c3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C23H18F2N4O3S/c1-15-4-6-20(7-5-15)33(30,31)29-22-23(32-14-16-3-2-8-26-12-16)28-21(13-27-22)17-9-18(24)11-19(25)10-17/h2-13H,14H2,1H3,(H,27,29)
InChIKeyPKYNMYFHGQJTCV-UHFFFAOYSA-N
MW468.49 g/mol
LogP4.51
Rot. Bonds7

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

N-[5-(3,5-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 23076185) has the molecular formula C23H18F2N4O3S and a molecular weight of 468.49 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
PubChem CID23076185
Molecular FormulaC23H18F2N4O3S
Molecular Weight468.49 g/mol
Exact Mass468.11
IUPAC NameN-[5-(3,5-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(-c3cc(F)cc(F)c3)nc2OCc2cccnc2)cc1
InChIInChI=1S/C23H18F2N4O3S/c1-15-4-6-20(7-5-15)33(30,31)29-22-23(32-14-16-3-2-8-26-12-16)28-21(13-27-22)17-9-18(24)11-19(25)10-17/h2-13H,14H2,1H3,(H,27,29)
InChIKeyPKYNMYFHGQJTCV-UHFFFAOYSA-N
XLogP4.51
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide (CID 23076185) is N-[5-(3,5-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc(-c3cc(F)cc(F)c3)nc2OCc2cccnc2)cc1.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is PKYNMYFHGQJTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O3S/c1-15-4-6-20(7-5-15)33(30,31)29-22-23(32-14-16-3-2-8-26-12-16)28-21(13-27-22)17-9-18(24)11-19(25)10-17/h2-13H,14H2,1H3,(H,27,29).
What are the key properties of N-[5-(3,5-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
N-[5-(3,5-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 468.49 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 23076185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).