2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide

C9H11FN4O2S — CID 23028142

IUPAC2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide
SMILESCCCc1ccc2nc(F)c(S(N)(=O)=O)n2n1
InChIInChI=1S/C9H11FN4O2S/c1-2-3-6-4-5-7-12-8(10)9(14(7)13-6)17(11,15)16/h4-5H,2-3H2,1H3,(H2,11,15,16)
InChIKeyPTEOMXAQGGDIDQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.47
Rot. Bonds3

About 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide

2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide (PubChem CID 23028142) has the molecular formula C9H11FN4O2S and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide.

Molecular Properties

Compound Name2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide
PubChem CID23028142
Molecular FormulaC9H11FN4O2S
Molecular Weight258.28 g/mol
Exact Mass258.06
IUPAC Name2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide
SMILESCCCc1ccc2nc(F)c(S(N)(=O)=O)n2n1
InChIInChI=1S/C9H11FN4O2S/c1-2-3-6-4-5-7-12-8(10)9(14(7)13-6)17(11,15)16/h4-5H,2-3H2,1H3,(H2,11,15,16)
InChIKeyPTEOMXAQGGDIDQ-UHFFFAOYSA-N
XLogP0.47
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-difluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CID 76308267
5,7-dimethyl-N-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CID 76311913
N-(2,6-difluorophenyl)-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CID 76326362
N-(2-fluorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CID 76333608
3H-1,2,3-Triazolo(4,5-b)pyridine-5-sulfonamide
CID 53439792
5,7-dimethyl-N-(2,6-difluorophenyl)pyrazolo[1,5-a]pyrimidine-2-sulfonamide
CID 15725420
2-Fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonyl fluoride
CID 23028096
2-Fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonic acid
CID 23028098
N,N-dimethyl-N'-[6-propyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]sulfonylmethanimidamide
CID 23076741
6-n-Propyl-2-trifluoromethylimidazo[1,2-b]pyridazin-3-ylsulfonamide
CID 23076745
6-Ethyl-2-fluoroimidazo[1,2-b]pyridazine-3-sulfonamide
CID 67265921
6-Ethenyl-2-fluoroimidazo[1,2-b]pyridazine-3-sulfonamide
CID 67266000

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide?
The IUPAC name of 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide (CID 23028142) is 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide.
What is the SMILES notation for 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide?
The canonical SMILES for 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide is CCCc1ccc2nc(F)c(S(N)(=O)=O)n2n1.
What is the InChIKey of 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide?
The InChIKey is PTEOMXAQGGDIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O2S/c1-2-3-6-4-5-7-12-8(10)9(14(7)13-6)17(11,15)16/h4-5H,2-3H2,1H3,(H2,11,15,16).
What are the key properties of 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide?
2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide has a molecular weight of 258.28 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-propylimidazo[1,2-b]pyridazine-3-sulfonamide is sourced from PubChem (CID 23028142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).