2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide

C17H18ClN3OS — CID 7205761

IUPAC2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide
SMILESO=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)NC1CCCC1
InChIInChI=1S/C17H18ClN3OS/c18-13-7-5-12(6-8-13)15-9-10-17(21-20-15)23-11-16(22)19-14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,19,22)
InChIKeyRUKVRGPVMRXSLT-UHFFFAOYSA-N
MW347.87 g/mol
LogP3.95
Rot. Bonds5

About 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide

2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide (PubChem CID 7205761) has the molecular formula C17H18ClN3OS and a molecular weight of 347.87 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide
PubChem CID7205761
Molecular FormulaC17H18ClN3OS
Molecular Weight347.87 g/mol
Exact Mass347.09
IUPAC Name2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide
SMILESO=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)NC1CCCC1
InChIInChI=1S/C17H18ClN3OS/c18-13-7-5-12(6-8-13)15-9-10-17(21-20-15)23-11-16(22)19-14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,19,22)
InChIKeyRUKVRGPVMRXSLT-UHFFFAOYSA-N
XLogP3.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide (CID 7205761) is 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide is O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)NC1CCCC1.
What is the InChIKey of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide?
The InChIKey is RUKVRGPVMRXSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3OS/c18-13-7-5-12(6-8-13)15-9-10-17(21-20-15)23-11-16(22)19-14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,19,22).
What are the key properties of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide?
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide has a molecular weight of 347.87 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide is sourced from PubChem (CID 7205761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).