3-chloro-N-[5-chloro-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2-fluorobenzenesulfonamide

C16H11Cl2FN4O3S — CID 59168161

IUPAC3-chloro-N-[5-chloro-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Cl)nc1OCc1cccnc1)c1cccc(Cl)c1F
InChIInChI=1S/C16H11Cl2FN4O3S/c17-11-4-1-5-12(14(11)19)27(24,25)23-15-16(22-13(18)8-21-15)26-9-10-3-2-6-20-7-10/h1-8H,9H2,(H,21,23)
InChIKeyVBTIMGWSKZTTJH-UHFFFAOYSA-N
MW429.26 g/mol
LogP3.70
Rot. Bonds6

About 3-chloro-N-[5-chloro-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2-fluorobenzenesulfonamide

3-chloro-N-[5-chloro-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2-fluorobenzenesulfonamide (PubChem CID 59168161) has the molecular formula C16H11Cl2FN4O3S and a molecular weight of 429.26 g/mol. Its IUPAC name is 3-chloro-N-[5-chloro-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[5-chloro-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2-fluorobenzenesulfonamide
PubChem CID59168161
Molecular FormulaC16H11Cl2FN4O3S
Molecular Weight429.26 g/mol
Exact Mass427.99
IUPAC Name3-chloro-N-[5-chloro-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Cl)nc1OCc1cccnc1)c1cccc(Cl)c1F
InChIInChI=1S/C16H11Cl2FN4O3S/c17-11-4-1-5-12(14(11)19)27(24,25)23-15-16(22-13(18)8-21-15)26-9-10-3-2-6-20-7-10/h1-8H,9H2,(H,21,23)
InChIKeyVBTIMGWSKZTTJH-UHFFFAOYSA-N
XLogP3.70
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.26
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-chloro-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[5-chloro-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2-fluorobenzenesulfonamide (CID 59168161) is 3-chloro-N-[5-chloro-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[5-chloro-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[5-chloro-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2-fluorobenzenesulfonamide is O=S(=O)(Nc1ncc(Cl)nc1OCc1cccnc1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-N-[5-chloro-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2-fluorobenzenesulfonamide?
The InChIKey is VBTIMGWSKZTTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN4O3S/c17-11-4-1-5-12(14(11)19)27(24,25)23-15-16(22-13(18)8-21-15)26-9-10-3-2-6-20-7-10/h1-8H,9H2,(H,21,23).
What are the key properties of 3-chloro-N-[5-chloro-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2-fluorobenzenesulfonamide?
3-chloro-N-[5-chloro-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2-fluorobenzenesulfonamide has a molecular weight of 429.26 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-chloro-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 59168161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).