N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylpyridine-3-carboxamide

C16H10ClFN2OS2 — CID 2819692

IUPACN-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Sc1cccs1
InChIInChI=1S/C16H10ClFN2OS2/c17-12-9-10(5-6-13(12)18)20-15(21)11-3-1-7-19-16(11)23-14-4-2-8-22-14/h1-9H,(H,20,21)
InChIKeySOQPBSSFSKISPG-UHFFFAOYSA-N
MW364.85 g/mol
LogP5.34
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylpyridine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylpyridine-3-carboxamide (PubChem CID 2819692) has the molecular formula C16H10ClFN2OS2 and a molecular weight of 364.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylpyridine-3-carboxamide
PubChem CID2819692
Molecular FormulaC16H10ClFN2OS2
Molecular Weight364.85 g/mol
Exact Mass363.99
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Sc1cccs1
InChIInChI=1S/C16H10ClFN2OS2/c17-12-9-10(5-6-13(12)18)20-15(21)11-3-1-7-19-16(11)23-14-4-2-8-22-14/h1-9H,(H,20,21)
InChIKeySOQPBSSFSKISPG-UHFFFAOYSA-N
XLogP5.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.85
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylpyridine-3-carboxamide (CID 2819692) is N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylpyridine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Sc1cccs1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylpyridine-3-carboxamide?
The InChIKey is SOQPBSSFSKISPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2OS2/c17-12-9-10(5-6-13(12)18)20-15(21)11-3-1-7-19-16(11)23-14-4-2-8-22-14/h1-9H,(H,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylpyridine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylpyridine-3-carboxamide has a molecular weight of 364.85 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2819692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).