3-(4-chlorophenyl)-2-(3,5-difluorophenyl)sulfonylthieno[2,3-b]pyridine

C19H10ClF2NO2S2 — CID 59159456

IUPAC3-(4-chlorophenyl)-2-(3,5-difluorophenyl)sulfonylthieno[2,3-b]pyridine
SMILESO=S(=O)(c1cc(F)cc(F)c1)c1sc2ncccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H10ClF2NO2S2/c20-12-5-3-11(4-6-12)17-16-2-1-7-23-18(16)26-19(17)27(24,25)15-9-13(21)8-14(22)10-15/h1-10H
InChIKeyJTVDTBMIYUBTDN-UHFFFAOYSA-N
MW421.88 g/mol
LogP5.73
Rot. Bonds3

About 3-(4-chlorophenyl)-2-(3,5-difluorophenyl)sulfonylthieno[2,3-b]pyridine

3-(4-chlorophenyl)-2-(3,5-difluorophenyl)sulfonylthieno[2,3-b]pyridine (PubChem CID 59159456) has the molecular formula C19H10ClF2NO2S2 and a molecular weight of 421.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(3,5-difluorophenyl)sulfonylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(3,5-difluorophenyl)sulfonylthieno[2,3-b]pyridine
PubChem CID59159456
Molecular FormulaC19H10ClF2NO2S2
Molecular Weight421.88 g/mol
Exact Mass420.98
IUPAC Name3-(4-chlorophenyl)-2-(3,5-difluorophenyl)sulfonylthieno[2,3-b]pyridine
SMILESO=S(=O)(c1cc(F)cc(F)c1)c1sc2ncccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H10ClF2NO2S2/c20-12-5-3-11(4-6-12)17-16-2-1-7-23-18(16)26-19(17)27(24,25)15-9-13(21)8-14(22)10-15/h1-10H
InChIKeyJTVDTBMIYUBTDN-UHFFFAOYSA-N
XLogP5.73
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(3,5-difluorophenyl)sulfonylthieno[2,3-b]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-2-(3,5-difluorophenyl)sulfonylthieno[2,3-b]pyridine (CID 59159456) is 3-(4-chlorophenyl)-2-(3,5-difluorophenyl)sulfonylthieno[2,3-b]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(3,5-difluorophenyl)sulfonylthieno[2,3-b]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(3,5-difluorophenyl)sulfonylthieno[2,3-b]pyridine is O=S(=O)(c1cc(F)cc(F)c1)c1sc2ncccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(3,5-difluorophenyl)sulfonylthieno[2,3-b]pyridine?
The InChIKey is JTVDTBMIYUBTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF2NO2S2/c20-12-5-3-11(4-6-12)17-16-2-1-7-23-18(16)26-19(17)27(24,25)15-9-13(21)8-14(22)10-15/h1-10H.
What are the key properties of 3-(4-chlorophenyl)-2-(3,5-difluorophenyl)sulfonylthieno[2,3-b]pyridine?
3-(4-chlorophenyl)-2-(3,5-difluorophenyl)sulfonylthieno[2,3-b]pyridine has a molecular weight of 421.88 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(3,5-difluorophenyl)sulfonylthieno[2,3-b]pyridine is sourced from PubChem (CID 59159456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).