3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-5-amine

C19H12Cl2N2O2S2 — CID 24899575

IUPAC3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-5-amine
SMILESNc1cnc2sc(S(=O)(=O)c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C19H12Cl2N2O2S2/c20-12-3-1-11(2-4-12)17-16-9-14(22)10-23-18(16)26-19(17)27(24,25)15-7-5-13(21)6-8-15/h1-10H,22H2
InChIKeyVMHPUGPSEKZVFA-UHFFFAOYSA-N
MW435.36 g/mol
LogP5.69
Rot. Bonds3

About 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-5-amine

3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-5-amine (PubChem CID 24899575) 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-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-5-amine
PubChem CID24899575
Molecular FormulaC19H12Cl2N2O2S2
Molecular Weight435.36 g/mol
Exact Mass433.97
IUPAC Name3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-5-amine
SMILESNc1cnc2sc(S(=O)(=O)c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C19H12Cl2N2O2S2/c20-12-3-1-11(2-4-12)17-16-9-14(22)10-23-18(16)26-19(17)27(24,25)15-7-5-13(21)6-8-15/h1-10H,22H2
InChIKeyVMHPUGPSEKZVFA-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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Related Compounds

CID 24898606
CID 24898606
CID 24898607
CID 24898607
CID 24898608
CID 24898608
CID 24898609
CID 24898609
CID 24898610
CID 24898610
CID 24898611
CID 24898611
CID 24898837
CID 24898837
CID 24898843
CID 24898843
CID 24899069
CID 24899069
CID 24899070
CID 24899070
CID 24899072
CID 24899072
CID 24899318
CID 24899318

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-5-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-5-amine (CID 24899575) is 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-5-amine is Nc1cnc2sc(S(=O)(=O)c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-5-amine?
The InChIKey is VMHPUGPSEKZVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2S2/c20-12-3-1-11(2-4-12)17-16-9-14(22)10-23-18(16)26-19(17)27(24,25)15-7-5-13(21)6-8-15/h1-10H,22H2.
What are the key properties of 3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-5-amine?
3-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonylthieno[2,3-b]pyridin-5-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-5-amine is sourced from PubChem (CID 24899575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).