4-fluoro-N-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]benzenesulfonamide

C16H13FN4O3S — CID 23075975

IUPAC4-fluoro-N-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1OCc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN4O3S/c17-13-1-3-14(4-2-13)25(22,23)21-15-16(20-10-9-19-15)24-11-12-5-7-18-8-6-12/h1-10H,11H2,(H,19,21)
InChIKeyFPJXHVLCHJLARE-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.39
Rot. Bonds6

About 4-fluoro-N-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]benzenesulfonamide

4-fluoro-N-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (PubChem CID 23075975) has the molecular formula C16H13FN4O3S and a molecular weight of 360.37 g/mol. Its IUPAC name is 4-fluoro-N-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
PubChem CID23075975
Molecular FormulaC16H13FN4O3S
Molecular Weight360.37 g/mol
Exact Mass360.07
IUPAC Name4-fluoro-N-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1OCc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN4O3S/c17-13-1-3-14(4-2-13)25(22,23)21-15-16(20-10-9-19-15)24-11-12-5-7-18-8-6-12/h1-10H,11H2,(H,19,21)
InChIKeyFPJXHVLCHJLARE-UHFFFAOYSA-N
XLogP2.39
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-Chloro-3-(3-pyridinylmethoxy)-2-pyrazinyl]-2,3-dichlorobenzenesulphonamide
CID 10195057
US10752623, Example 37
CID 146421913
N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-3,4-difluorobenzenesulfonamide
CID 2728423
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
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
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-fluoro-N-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (CID 23075975) is 4-fluoro-N-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nccnc1OCc1ccncc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is FPJXHVLCHJLARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3S/c17-13-1-3-14(4-2-13)25(22,23)21-15-16(20-10-9-19-15)24-11-12-5-7-18-8-6-12/h1-10H,11H2,(H,19,21).
What are the key properties of 4-fluoro-N-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
4-fluoro-N-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 360.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(pyridin-4-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 23075975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).