4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide

C9H11ClN2O2S — CID 117105151

IUPAC4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cc(Cl)cnn2)CC1
InChIInChI=1S/C9H11ClN2O2S/c10-8-5-9(12-11-6-8)7-1-3-15(13,14)4-2-7/h5-7H,1-4H2
InChIKeyTWLCGGZUAUUWAY-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.42
Rot. Bonds1

About 4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide

4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide (PubChem CID 117105151) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide
PubChem CID117105151
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide
SMILESO=S1(=O)CCC(c2cc(Cl)cnn2)CC1
InChIInChI=1S/C9H11ClN2O2S/c10-8-5-9(12-11-6-8)7-1-3-15(13,14)4-2-7/h5-7H,1-4H2
InChIKeyTWLCGGZUAUUWAY-UHFFFAOYSA-N
XLogP1.42
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105014
4-[(5-chloropyridazin-3-yl)methyl]thiane 1,1-dioxide
CID 117105423
5-chloro-3-(1-methylpiperidin-3-yl)pyridazine
CID 117105599
6-(1,1-dioxothian-3-yl)pyridazin-4-amine
CID 117105556
3-cyclobutyl-5-methylpyridazine
CID 134606945
3-(2-chloro-1H-imidazol-5-yl)thiolane 1,1-dioxide
CID 117259808
3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336168
trans-methyl (1S,2S)-2-(5-chloropyridazin-3-yl)cyclopropane-1-carboxylate
CID 171758422
4-(1-methylpyrazolo[5,4-b]pyridin-6-yl)thiane 1,1-dioxide
CID 170904373
6-(1,1-dioxothian-4-yl)pyridine-3-carboxylic acid
CID 115047543
4-(6-chloropyridazin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 114478102
4-[(2,6-dichloro-4-pyridinyl)oxy]thiane 1,1-dioxide
CID 139300659

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide (CID 117105151) is 4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide is O=S1(=O)CCC(c2cc(Cl)cnn2)CC1.
What is the InChIKey of 4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide?
The InChIKey is TWLCGGZUAUUWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c10-8-5-9(12-11-6-8)7-1-3-15(13,14)4-2-7/h5-7H,1-4H2.
What are the key properties of 4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide?
4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide has a molecular weight of 246.72 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropyridazin-3-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117105151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).