3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine

C19H12Cl2N2O2S2 — CID 59159487

IUPAC3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine
SMILESNc1ccc2c(-c3ccc(Cl)cc3)c(S(=O)(=O)c3ccc(Cl)cc3)sc2n1
InChIInChI=1S/C19H12Cl2N2O2S2/c20-12-3-1-11(2-4-12)17-15-9-10-16(22)23-18(15)26-19(17)27(24,25)14-7-5-13(21)6-8-14/h1-10H,(H2,22,23)
InChIKeySQCXCUIINGJFKN-UHFFFAOYSA-N
MW435.36 g/mol
LogP5.69
Rot. Bonds3

About 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine

3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine (PubChem CID 59159487) has the molecular formula C19H12Cl2N2O2S2 and a molecular weight of 435.36 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine
PubChem CID59159487
Molecular FormulaC19H12Cl2N2O2S2
Molecular Weight435.36 g/mol
Exact Mass433.97
IUPAC Name3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine
SMILESNc1ccc2c(-c3ccc(Cl)cc3)c(S(=O)(=O)c3ccc(Cl)cc3)sc2n1
InChIInChI=1S/C19H12Cl2N2O2S2/c20-12-3-1-11(2-4-12)17-15-9-10-16(22)23-18(15)26-19(17)27(24,25)14-7-5-13(21)6-8-14/h1-10H,(H2,22,23)
InChIKeySQCXCUIINGJFKN-UHFFFAOYSA-N
XLogP5.69
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.36
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine (CID 59159487) is 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine is Nc1ccc2c(-c3ccc(Cl)cc3)c(S(=O)(=O)c3ccc(Cl)cc3)sc2n1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine?
The InChIKey is SQCXCUIINGJFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2S2/c20-12-3-1-11(2-4-12)17-15-9-10-16(22)23-18(15)26-19(17)27(24,25)14-7-5-13(21)6-8-14/h1-10H,(H2,22,23).
What are the key properties of 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine?
3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine has a molecular weight of 435.36 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-6-amine is sourced from PubChem (CID 59159487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).