2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine

C19H19ClN2O2S2 — CID 24899827

IUPAC2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine
SMILESCC1CCN(c2c(S(=O)(=O)c3ccc(Cl)cc3)sc3ncccc23)CC1
InChIInChI=1S/C19H19ClN2O2S2/c1-13-8-11-22(12-9-13)17-16-3-2-10-21-18(16)25-19(17)26(23,24)15-6-4-14(20)5-7-15/h2-7,10,13H,8-9,11-12H2,1H3
InChIKeyYISOSBDSQQVZAV-UHFFFAOYSA-N
MW406.96 g/mol
LogP5.02
Rot. Bonds3

About 2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine

2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine (PubChem CID 24899827) has the molecular formula C19H19ClN2O2S2 and a molecular weight of 406.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine
PubChem CID24899827
Molecular FormulaC19H19ClN2O2S2
Molecular Weight406.96 g/mol
Exact Mass406.06
IUPAC Name2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine
SMILESCC1CCN(c2c(S(=O)(=O)c3ccc(Cl)cc3)sc3ncccc23)CC1
InChIInChI=1S/C19H19ClN2O2S2/c1-13-8-11-22(12-9-13)17-16-3-2-10-21-18(16)25-19(17)26(23,24)15-6-4-14(20)5-7-15/h2-7,10,13H,8-9,11-12H2,1H3
InChIKeyYISOSBDSQQVZAV-UHFFFAOYSA-N
XLogP5.02
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.96
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine (CID 24899827) is 2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine is CC1CCN(c2c(S(=O)(=O)c3ccc(Cl)cc3)sc3ncccc23)CC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine?
The InChIKey is YISOSBDSQQVZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S2/c1-13-8-11-22(12-9-13)17-16-3-2-10-21-18(16)25-19(17)26(23,24)15-6-4-14(20)5-7-15/h2-7,10,13H,8-9,11-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine?
2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine has a molecular weight of 406.96 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-3-(4-methylpiperidin-1-yl)thieno[2,3-b]pyridine is sourced from PubChem (CID 24899827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).