2,3-dichloro-N-[5-chloro-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide

C17H10Cl3F3N4O3S — CID 87386381

IUPAC2,3-dichloro-N-[5-chloro-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Cl)nc1OC(c1cccnc1)C(F)(F)F)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H10Cl3F3N4O3S/c18-10-4-1-5-11(13(10)20)31(28,29)27-15-16(26-12(19)8-25-15)30-14(17(21,22)23)9-3-2-6-24-7-9/h1-8,14H,(H,25,27)
InChIKeyMHHPYNKRGNAEGT-UHFFFAOYSA-N
MW513.71 g/mol
LogP5.32
Rot. Bonds6

About 2,3-dichloro-N-[5-chloro-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide

2,3-dichloro-N-[5-chloro-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide (PubChem CID 87386381) has the molecular formula C17H10Cl3F3N4O3S and a molecular weight of 513.71 g/mol. Its IUPAC name is 2,3-dichloro-N-[5-chloro-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[5-chloro-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide
PubChem CID87386381
Molecular FormulaC17H10Cl3F3N4O3S
Molecular Weight513.71 g/mol
Exact Mass511.95
IUPAC Name2,3-dichloro-N-[5-chloro-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Cl)nc1OC(c1cccnc1)C(F)(F)F)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H10Cl3F3N4O3S/c18-10-4-1-5-11(13(10)20)31(28,29)27-15-16(26-12(19)8-25-15)30-14(17(21,22)23)9-3-2-6-24-7-9/h1-8,14H,(H,25,27)
InChIKeyMHHPYNKRGNAEGT-UHFFFAOYSA-N
XLogP5.32
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.71
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[5-chloro-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[5-chloro-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide (CID 87386381) is 2,3-dichloro-N-[5-chloro-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[5-chloro-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[5-chloro-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide is O=S(=O)(Nc1ncc(Cl)nc1OC(c1cccnc1)C(F)(F)F)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[5-chloro-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is MHHPYNKRGNAEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3F3N4O3S/c18-10-4-1-5-11(13(10)20)31(28,29)27-15-16(26-12(19)8-25-15)30-14(17(21,22)23)9-3-2-6-24-7-9/h1-8,14H,(H,25,27).
What are the key properties of 2,3-dichloro-N-[5-chloro-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide?
2,3-dichloro-N-[5-chloro-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 513.71 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[5-chloro-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 87386381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).