(2R)-2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylpropanamide

C13H12ClN3OS — CID 6404258

IUPAC(2R)-2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylpropanamide
SMILESC[C@@H](Sc1ccc(-c2ccc(Cl)cc2)nn1)C(N)=O
InChIInChI=1S/C13H12ClN3OS/c1-8(13(15)18)19-12-7-6-11(16-17-12)9-2-4-10(14)5-3-9/h2-8H,1H3,(H2,15,18)/t8-/m1/s1
InChIKeyKZNDIPYIYWBSRC-MRVPVSSYSA-N
MW293.78 g/mol
LogP2.76
Rot. Bonds4

About (2R)-2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylpropanamide

(2R)-2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylpropanamide (PubChem CID 6404258) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is (2R)-2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylpropanamide
PubChem CID6404258
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC Name(2R)-2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylpropanamide
SMILESC[C@@H](Sc1ccc(-c2ccc(Cl)cc2)nn1)C(N)=O
InChIInChI=1S/C13H12ClN3OS/c1-8(13(15)18)19-12-7-6-11(16-17-12)9-2-4-10(14)5-3-9/h2-8H,1H3,(H2,15,18)/t8-/m1/s1
InChIKeyKZNDIPYIYWBSRC-MRVPVSSYSA-N
XLogP2.76
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylpropanamide?
The IUPAC name of (2R)-2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylpropanamide (CID 6404258) is (2R)-2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylpropanamide is C[C@@H](Sc1ccc(-c2ccc(Cl)cc2)nn1)C(N)=O.
What is the InChIKey of (2R)-2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylpropanamide?
The InChIKey is KZNDIPYIYWBSRC-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12ClN3OS/c1-8(13(15)18)19-12-7-6-11(16-17-12)9-2-4-10(14)5-3-9/h2-8H,1H3,(H2,15,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylpropanamide?
(2R)-2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylpropanamide has a molecular weight of 293.78 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylpropanamide is sourced from PubChem (CID 6404258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).