1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide

C9H11ClN4O2S2 — CID 19769464

IUPAC1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide
SMILESCCC(Sc1ccc2nc(Cl)cn2n1)S(N)(=O)=O
InChIInChI=1S/C9H11ClN4O2S2/c1-2-9(18(11,15)16)17-8-4-3-7-12-6(10)5-14(7)13-8/h3-5,9H,2H2,1H3,(H2,11,15,16)
InChIKeyFVOJMELJSIIUOP-UHFFFAOYSA-N
MW306.80 g/mol
LogP1.50
Rot. Bonds4

About 1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide

1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide (PubChem CID 19769464) has the molecular formula C9H11ClN4O2S2 and a molecular weight of 306.80 g/mol. Its IUPAC name is 1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide.

Molecular Properties

Compound Name1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide
PubChem CID19769464
Molecular FormulaC9H11ClN4O2S2
Molecular Weight306.80 g/mol
Exact Mass306.00
IUPAC Name1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide
SMILESCCC(Sc1ccc2nc(Cl)cn2n1)S(N)(=O)=O
InChIInChI=1S/C9H11ClN4O2S2/c1-2-9(18(11,15)16)17-8-4-3-7-12-6(10)5-14(7)13-8/h3-5,9H,2H2,1H3,(H2,11,15,16)
InChIKeyFVOJMELJSIIUOP-UHFFFAOYSA-N
XLogP1.50
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide?
The IUPAC name of 1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide (CID 19769464) is 1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide.
What is the SMILES notation for 1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide?
The canonical SMILES for 1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide is CCC(Sc1ccc2nc(Cl)cn2n1)S(N)(=O)=O.
What is the InChIKey of 1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide?
The InChIKey is FVOJMELJSIIUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2S2/c1-2-9(18(11,15)16)17-8-4-3-7-12-6(10)5-14(7)13-8/h3-5,9H,2H2,1H3,(H2,11,15,16).
What are the key properties of 1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide?
1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide has a molecular weight of 306.80 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropane-1-sulfonamide is sourced from PubChem (CID 19769464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).