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

C23H18F2N4O3S — CID 23075825

IUPACN-[5-(2,4-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3F)nc2OCc2cccnc2)cc1
InChIInChI=1S/C23H18F2N4O3S/c1-15-4-7-18(8-5-15)33(30,31)29-22-23(32-14-16-3-2-10-26-12-16)28-21(13-27-22)19-9-6-17(24)11-20(19)25/h2-13H,14H2,1H3,(H,27,29)
InChIKeyLMSCIRKWOJIWFH-UHFFFAOYSA-N
MW468.49 g/mol
LogP4.51
Rot. Bonds7

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

N-[5-(2,4-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 23075825) has the molecular formula C23H18F2N4O3S and a molecular weight of 468.49 g/mol. Its IUPAC name is N-[5-(2,4-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2,4-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
PubChem CID23075825
Molecular FormulaC23H18F2N4O3S
Molecular Weight468.49 g/mol
Exact Mass468.11
IUPAC NameN-[5-(2,4-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3F)nc2OCc2cccnc2)cc1
InChIInChI=1S/C23H18F2N4O3S/c1-15-4-7-18(8-5-15)33(30,31)29-22-23(32-14-16-3-2-10-26-12-16)28-21(13-27-22)19-9-6-17(24)11-20(19)25/h2-13H,14H2,1H3,(H,27,29)
InChIKeyLMSCIRKWOJIWFH-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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Related Compounds

US11021493, Example 209
CID 135125635
3-[3-(Methoxymethyl)phenyl]-6-(pyridin-2-ylmethoxy)pyrazin-2-amine
CID 172436189
N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-propylbenzenesulfonamide
CID 2728400
2-(4-isopropoxyphenyl)-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulphonamide
CID 21186279
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
4-methyl-N-[3-(pyridin-3-ylmethoxy)-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]benzenesulfonamide
CID 23075821
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-(2,4-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide (CID 23075825) is N-[5-(2,4-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(2,4-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(2,4-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3F)nc2OCc2cccnc2)cc1.
What is the InChIKey of N-[5-(2,4-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is LMSCIRKWOJIWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O3S/c1-15-4-7-18(8-5-15)33(30,31)29-22-23(32-14-16-3-2-10-26-12-16)28-21(13-27-22)19-9-6-17(24)11-20(19)25/h2-13H,14H2,1H3,(H,27,29).
What are the key properties of N-[5-(2,4-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide?
N-[5-(2,4-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-(2,4-difluorophenyl)-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 23075825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).