2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)thieno[2,3-b]pyridine

C19H10ClF2NO2S2 — CID 59159499

IUPAC2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)thieno[2,3-b]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccc(F)cc1F
InChIInChI=1S/C19H10ClF2NO2S2/c20-11-3-6-13(7-4-11)27(24,25)19-17(14-8-5-12(21)10-16(14)22)15-2-1-9-23-18(15)26-19/h1-10H
InChIKeyLKNWJVIZUJOERW-UHFFFAOYSA-N
MW421.88 g/mol
LogP5.73
Rot. Bonds3

About 2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)thieno[2,3-b]pyridine

2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)thieno[2,3-b]pyridine (PubChem CID 59159499) has the molecular formula C19H10ClF2NO2S2 and a molecular weight of 421.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)thieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)thieno[2,3-b]pyridine
PubChem CID59159499
Molecular FormulaC19H10ClF2NO2S2
Molecular Weight421.88 g/mol
Exact Mass420.98
IUPAC Name2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)thieno[2,3-b]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccc(F)cc1F
InChIInChI=1S/C19H10ClF2NO2S2/c20-11-3-6-13(7-4-11)27(24,25)19-17(14-8-5-12(21)10-16(14)22)15-2-1-9-23-18(15)26-19/h1-10H
InChIKeyLKNWJVIZUJOERW-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 2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)thieno[2,3-b]pyridine?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)thieno[2,3-b]pyridine (CID 59159499) is 2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)thieno[2,3-b]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)thieno[2,3-b]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)thieno[2,3-b]pyridine is O=S(=O)(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccc(F)cc1F.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)thieno[2,3-b]pyridine?
The InChIKey is LKNWJVIZUJOERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF2NO2S2/c20-11-3-6-13(7-4-11)27(24,25)19-17(14-8-5-12(21)10-16(14)22)15-2-1-9-23-18(15)26-19/h1-10H.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)thieno[2,3-b]pyridine?
2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)thieno[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 2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)thieno[2,3-b]pyridine is sourced from PubChem (CID 59159499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).