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

C16H12ClFN4O3S — CID 10237577

IUPAC3-chloro-2-fluoro-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1OCc1cccnc1)c1cccc(Cl)c1F
InChIInChI=1S/C16H12ClFN4O3S/c17-12-4-1-5-13(14(12)18)26(23,24)22-15-16(21-8-7-20-15)25-10-11-3-2-6-19-9-11/h1-9H,10H2,(H,20,22)
InChIKeyJQDCAWMIHLCIGA-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.04
Rot. Bonds6

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

3-chloro-2-fluoro-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (PubChem CID 10237577) has the molecular formula C16H12ClFN4O3S and a molecular weight of 394.82 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
PubChem CID10237577
Molecular FormulaC16H12ClFN4O3S
Molecular Weight394.82 g/mol
Exact Mass394.03
IUPAC Name3-chloro-2-fluoro-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1OCc1cccnc1)c1cccc(Cl)c1F
InChIInChI=1S/C16H12ClFN4O3S/c17-12-4-1-5-13(14(12)18)26(23,24)22-15-16(21-8-7-20-15)25-10-11-3-2-6-19-9-11/h1-9H,10H2,(H,20,22)
InChIKeyJQDCAWMIHLCIGA-UHFFFAOYSA-N
XLogP3.04
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide (CID 10237577) is 3-chloro-2-fluoro-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nccnc1OCc1cccnc1)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is JQDCAWMIHLCIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O3S/c17-12-4-1-5-13(14(12)18)26(23,24)22-15-16(21-8-7-20-15)25-10-11-3-2-6-19-9-11/h1-9H,10H2,(H,20,22).
What are the key properties of 3-chloro-2-fluoro-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide?
3-chloro-2-fluoro-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 394.82 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[3-(pyridin-3-ylmethoxy)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 10237577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).