2-(2-chlorophenyl)sulfanyl-N-cyclohexylpyridine-3-carboxamide

C18H19ClN2OS — CID 4845021

IUPAC2-(2-chlorophenyl)sulfanyl-N-cyclohexylpyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cccnc1Sc1ccccc1Cl
InChIInChI=1S/C18H19ClN2OS/c19-15-10-4-5-11-16(15)23-18-14(9-6-12-20-18)17(22)21-13-7-2-1-3-8-13/h4-6,9-13H,1-3,7-8H2,(H,21,22)
InChIKeyOCASPYKFBUFOLT-UHFFFAOYSA-N
MW346.88 g/mol
LogP4.95
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-N-cyclohexylpyridine-3-carboxamide

2-(2-chlorophenyl)sulfanyl-N-cyclohexylpyridine-3-carboxamide (PubChem CID 4845021) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-cyclohexylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-cyclohexylpyridine-3-carboxamide
PubChem CID4845021
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-cyclohexylpyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cccnc1Sc1ccccc1Cl
InChIInChI=1S/C18H19ClN2OS/c19-15-10-4-5-11-16(15)23-18-14(9-6-12-20-18)17(22)21-13-7-2-1-3-8-13/h4-6,9-13H,1-3,7-8H2,(H,21,22)
InChIKeyOCASPYKFBUFOLT-UHFFFAOYSA-N
XLogP4.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-cyclohexylpyridine-3-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-cyclohexylpyridine-3-carboxamide (CID 4845021) is 2-(2-chlorophenyl)sulfanyl-N-cyclohexylpyridine-3-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-cyclohexylpyridine-3-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-cyclohexylpyridine-3-carboxamide is O=C(NC1CCCCC1)c1cccnc1Sc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-cyclohexylpyridine-3-carboxamide?
The InChIKey is OCASPYKFBUFOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c19-15-10-4-5-11-16(15)23-18-14(9-6-12-20-18)17(22)21-13-7-2-1-3-8-13/h4-6,9-13H,1-3,7-8H2,(H,21,22).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-cyclohexylpyridine-3-carboxamide?
2-(2-chlorophenyl)sulfanyl-N-cyclohexylpyridine-3-carboxamide has a molecular weight of 346.88 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-cyclohexylpyridine-3-carboxamide is sourced from PubChem (CID 4845021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).