N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-methylsulfanylpyridine-3-carboxamide

C14H13ClN2O2S2 — CID 2819888

IUPACN-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N=S(C)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O2S2/c1-20-14-12(4-3-9-16-14)13(18)17-21(2,19)11-7-5-10(15)6-8-11/h3-9H,1-2H3
InChIKeyFEKREAUJZDPKOL-UHFFFAOYSA-N
MW340.86 g/mol
LogP3.75
Rot. Bonds3

About N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-methylsulfanylpyridine-3-carboxamide

N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2819888) has the molecular formula C14H13ClN2O2S2 and a molecular weight of 340.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2819888
Molecular FormulaC14H13ClN2O2S2
Molecular Weight340.86 g/mol
Exact Mass340.01
IUPAC NameN-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)N=S(C)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O2S2/c1-20-14-12(4-3-9-16-14)13(18)17-21(2,19)11-7-5-10(15)6-8-11/h3-9H,1-2H3
InChIKeyFEKREAUJZDPKOL-UHFFFAOYSA-N
XLogP3.75
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-methylsulfanylpyridine-3-carboxamide (CID 2819888) is N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)N=S(C)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is FEKREAUJZDPKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S2/c1-20-14-12(4-3-9-16-14)13(18)17-21(2,19)11-7-5-10(15)6-8-11/h3-9H,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-methylsulfanylpyridine-3-carboxamide?
N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 340.86 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-methyl-oxo-lambda6-sulfanylidene]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2819888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).