[3-[6-chloro-3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylphenyl]phosphane

C19H12Cl2NO2PS2 — CID 143492380

IUPAC[3-[6-chloro-3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylphenyl]phosphane
SMILESO=S(=O)(c1cccc(P)c1)c1sc2nc(Cl)ccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H12Cl2NO2PS2/c20-12-6-4-11(5-7-12)17-15-8-9-16(21)22-18(15)26-19(17)27(23,24)14-3-1-2-13(25)10-14/h1-10H,25H2
InChIKeyLIIWEWRSTGZIMO-UHFFFAOYSA-N
MW452.32 g/mol
LogP5.60
Rot. Bonds3

About [3-[6-chloro-3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylphenyl]phosphane

[3-[6-chloro-3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylphenyl]phosphane (PubChem CID 143492380) has the molecular formula C19H12Cl2NO2PS2 and a molecular weight of 452.32 g/mol. Its IUPAC name is [3-[6-chloro-3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylphenyl]phosphane.

Molecular Properties

Compound Name[3-[6-chloro-3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylphenyl]phosphane
PubChem CID143492380
Molecular FormulaC19H12Cl2NO2PS2
Molecular Weight452.32 g/mol
Exact Mass450.94
IUPAC Name[3-[6-chloro-3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylphenyl]phosphane
SMILESO=S(=O)(c1cccc(P)c1)c1sc2nc(Cl)ccc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H12Cl2NO2PS2/c20-12-6-4-11(5-7-12)17-15-8-9-16(21)22-18(15)26-19(17)27(23,24)14-3-1-2-13(25)10-14/h1-10H,25H2
InChIKeyLIIWEWRSTGZIMO-UHFFFAOYSA-N
XLogP5.60
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.32
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[6-chloro-3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylphenyl]phosphane?
The IUPAC name of [3-[6-chloro-3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylphenyl]phosphane (CID 143492380) is [3-[6-chloro-3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylphenyl]phosphane.
What is the SMILES notation for [3-[6-chloro-3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylphenyl]phosphane?
The canonical SMILES for [3-[6-chloro-3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylphenyl]phosphane is O=S(=O)(c1cccc(P)c1)c1sc2nc(Cl)ccc2c1-c1ccc(Cl)cc1.
What is the InChIKey of [3-[6-chloro-3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylphenyl]phosphane?
The InChIKey is LIIWEWRSTGZIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2NO2PS2/c20-12-6-4-11(5-7-12)17-15-8-9-16(21)22-18(15)26-19(17)27(23,24)14-3-1-2-13(25)10-14/h1-10H,25H2.
What are the key properties of [3-[6-chloro-3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylphenyl]phosphane?
[3-[6-chloro-3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylphenyl]phosphane has a molecular weight of 452.32 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-chloro-3-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]sulfonylphenyl]phosphane is sourced from PubChem (CID 143492380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).