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

C20H12Cl2F3N5O3S — CID 67402273

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

2,3-dichloro-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrido[2,3-b]pyrazin-2-yl]benzenesulfonamide (PubChem CID 67402273) has the molecular formula C20H12Cl2F3N5O3S and a molecular weight of 530.32 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrido[2,3-b]pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,3-dichloro-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrido[2,3-b]pyrazin-2-yl]benzenesulfonamide
• PubChem CID: 67402273
• Molecular Formula: C20H12Cl2F3N5O3S
• Molecular Weight: 530.32 g/mol
• Exact Mass: 529.00
• IUPAC Name: 2,3-dichloro-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrido[2,3-b]pyrazin-2-yl]benzenesulfonamide
• SMILES: O=S(=O)(Nc1nc2cccnc2nc1OC(c1cccnc1)C(F)(F)F)c1cccc(Cl)c1Cl
• InChI: InChI=1S/C20H12Cl2F3N5O3S/c21-12-5-1-7-14(15(12)22)34(31,32)30-18-19(29-17-13(28-18)6-3-9-27-17)33-16(20(23,24)25)11-4-2-8-26-10-11/h1-10,16H,(H,28,30)
• InChIKey: LTUSBTSHZNROAH-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 106.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.32
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrido[2,3-b]pyrazin-2-yl]benzenesulfonamide?

The IUPAC name of 2,3-dichloro-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrido[2,3-b]pyrazin-2-yl]benzenesulfonamide (CID 67402273) is 2,3-dichloro-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrido[2,3-b]pyrazin-2-yl]benzenesulfonamide.

What is the SMILES notation for 2,3-dichloro-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrido[2,3-b]pyrazin-2-yl]benzenesulfonamide?

The canonical SMILES for 2,3-dichloro-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrido[2,3-b]pyrazin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2cccnc2nc1OC(c1cccnc1)C(F)(F)F)c1cccc(Cl)c1Cl.

What is the InChIKey of 2,3-dichloro-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrido[2,3-b]pyrazin-2-yl]benzenesulfonamide?

The InChIKey is LTUSBTSHZNROAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F3N5O3S/c21-12-5-1-7-14(15(12)22)34(31,32)30-18-19(29-17-13(28-18)6-3-9-27-17)33-16(20(23,24)25)11-4-2-8-26-10-11/h1-10,16H,(H,28,30).

What are the key properties of 2,3-dichloro-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrido[2,3-b]pyrazin-2-yl]benzenesulfonamide?

2,3-dichloro-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrido[2,3-b]pyrazin-2-yl]benzenesulfonamide has a molecular weight of 530.32 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dichloro-N-[3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)pyrido[2,3-b]pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 67402273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).