2-(4-chlorophenyl)sulfonyl-3-(2-fluorophenyl)thieno[2,3-b]pyridin-5-amine

C19H12ClFN2O2S2 — CID 59159453

IUPAC2-(4-chlorophenyl)sulfonyl-3-(2-fluorophenyl)thieno[2,3-b]pyridin-5-amine
SMILESNc1cnc2sc(S(=O)(=O)c3ccc(Cl)cc3)c(-c3ccccc3F)c2c1
InChIInChI=1S/C19H12ClFN2O2S2/c20-11-5-7-13(8-6-11)27(24,25)19-17(14-3-1-2-4-16(14)21)15-9-12(22)10-23-18(15)26-19/h1-10H,22H2
InChIKeyCFASEXMQLSNTDT-UHFFFAOYSA-N
MW418.90 g/mol
LogP5.17
Rot. Bonds3

About 2-(4-chlorophenyl)sulfonyl-3-(2-fluorophenyl)thieno[2,3-b]pyridin-5-amine

2-(4-chlorophenyl)sulfonyl-3-(2-fluorophenyl)thieno[2,3-b]pyridin-5-amine (PubChem CID 59159453) has the molecular formula C19H12ClFN2O2S2 and a molecular weight of 418.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-3-(2-fluorophenyl)thieno[2,3-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-3-(2-fluorophenyl)thieno[2,3-b]pyridin-5-amine
PubChem CID59159453
Molecular FormulaC19H12ClFN2O2S2
Molecular Weight418.90 g/mol
Exact Mass418.00
IUPAC Name2-(4-chlorophenyl)sulfonyl-3-(2-fluorophenyl)thieno[2,3-b]pyridin-5-amine
SMILESNc1cnc2sc(S(=O)(=O)c3ccc(Cl)cc3)c(-c3ccccc3F)c2c1
InChIInChI=1S/C19H12ClFN2O2S2/c20-11-5-7-13(8-6-11)27(24,25)19-17(14-3-1-2-4-16(14)21)15-9-12(22)10-23-18(15)26-19/h1-10H,22H2
InChIKeyCFASEXMQLSNTDT-UHFFFAOYSA-N
XLogP5.17
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.90
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-3-(2-fluorophenyl)thieno[2,3-b]pyridin-5-amine?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-3-(2-fluorophenyl)thieno[2,3-b]pyridin-5-amine (CID 59159453) is 2-(4-chlorophenyl)sulfonyl-3-(2-fluorophenyl)thieno[2,3-b]pyridin-5-amine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-3-(2-fluorophenyl)thieno[2,3-b]pyridin-5-amine?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-3-(2-fluorophenyl)thieno[2,3-b]pyridin-5-amine is Nc1cnc2sc(S(=O)(=O)c3ccc(Cl)cc3)c(-c3ccccc3F)c2c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-3-(2-fluorophenyl)thieno[2,3-b]pyridin-5-amine?
The InChIKey is CFASEXMQLSNTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O2S2/c20-11-5-7-13(8-6-11)27(24,25)19-17(14-3-1-2-4-16(14)21)15-9-12(22)10-23-18(15)26-19/h1-10H,22H2.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-3-(2-fluorophenyl)thieno[2,3-b]pyridin-5-amine?
2-(4-chlorophenyl)sulfonyl-3-(2-fluorophenyl)thieno[2,3-b]pyridin-5-amine has a molecular weight of 418.90 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-3-(2-fluorophenyl)thieno[2,3-b]pyridin-5-amine is sourced from PubChem (CID 59159453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).