3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide

C8H9ClN2O2S — CID 117105014

IUPAC3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cc(Cl)cnn2)C1
InChIInChI=1S/C8H9ClN2O2S/c9-7-3-8(11-10-4-7)6-1-2-14(12,13)5-6/h3-4,6H,1-2,5H2
InChIKeyKDNNTGOXHOQXFY-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.03
Rot. Bonds1

About 3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide

3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide (PubChem CID 117105014) has the molecular formula C8H9ClN2O2S and a molecular weight of 232.69 g/mol. Its IUPAC name is 3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide
PubChem CID117105014
Molecular FormulaC8H9ClN2O2S
Molecular Weight232.69 g/mol
Exact Mass232.01
IUPAC Name3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cc(Cl)cnn2)C1
InChIInChI=1S/C8H9ClN2O2S/c9-7-3-8(11-10-4-7)6-1-2-14(12,13)5-6/h3-4,6H,1-2,5H2
InChIKeyKDNNTGOXHOQXFY-UHFFFAOYSA-N
XLogP1.03
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide
CID 117105151
6-(1,1-dioxothian-3-yl)pyridazin-4-amine
CID 117105556
4-[(5-chloropyridazin-3-yl)methyl]thiane 1,1-dioxide
CID 117105423
5-chloro-3-(1-methylpiperidin-3-yl)pyridazine
CID 117105599
3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336168
3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide
CID 117259808
3-pyridazin-3-ylthiane 1,1-dioxide
CID 117105552
N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxothiolan-3-yl)-1,3-thiazol-2-amine
CID 122151696
3-(1,1-dioxothian-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-6-amine
CID 115049588
5-(1,1-dioxothiolan-3-yl)pyridin-3-amine
CID 115027948
3-(5-chloro-1,2,4-thiadiazol-3-yl)thiolane 1,1-dioxide
CID 115337631
3-(3-chloro-1,2,4-oxadiazol-5-yl)thiolane 1,1-dioxide
CID 112572058

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide (CID 117105014) is 3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(c2cc(Cl)cnn2)C1.
What is the InChIKey of 3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide?
The InChIKey is KDNNTGOXHOQXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2S/c9-7-3-8(11-10-4-7)6-1-2-14(12,13)5-6/h3-4,6H,1-2,5H2.
What are the key properties of 3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide?
3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide has a molecular weight of 232.69 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 117105014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).