pyrrolo[1,2-b]pyridazine-3-sulfonamide

C7H7N3O2S — CID 141072126

IUPACpyrrolo[1,2-b]pyridazine-3-sulfonamide
SMILESNS(=O)(=O)c1cnn2cccc2c1
InChIInChI=1S/C7H7N3O2S/c8-13(11,12)7-4-6-2-1-3-10(6)9-5-7/h1-5H,(H2,8,11,12)
InChIKeyLLJLOGOXWTVIGQ-UHFFFAOYSA-N
MW197.22 g/mol
LogP-0.02
Rot. Bonds1

About pyrrolo[1,2-b]pyridazine-3-sulfonamide

pyrrolo[1,2-b]pyridazine-3-sulfonamide (PubChem CID 141072126) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is pyrrolo[1,2-b]pyridazine-3-sulfonamide.

Molecular Properties

Compound Namepyrrolo[1,2-b]pyridazine-3-sulfonamide
PubChem CID141072126
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Namepyrrolo[1,2-b]pyridazine-3-sulfonamide
SMILESNS(=O)(=O)c1cnn2cccc2c1
InChIInChI=1S/C7H7N3O2S/c8-13(11,12)7-4-6-2-1-3-10(6)9-5-7/h1-5H,(H2,8,11,12)
InChIKeyLLJLOGOXWTVIGQ-UHFFFAOYSA-N
XLogP-0.02
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloropyrrolo[1,2-b]pyridazine
CID 135308006
imidazo[1,5-a]pyridine-7-sulfonamide
CID 175970752
pyrazolo[1,5-a]pyridine-5-sulfonyl chloride
CID 90175971
5-tert-butylsulfonylpyrazolo[1,5-a]pyridine
CID 134328448
benzene-1,3-disulfonamide
CID 3090044
1-(3,4-dichlorophenyl)pyrazole-4-sulfonamide
CID 61394747
1-pyridin-4-ylpyrazole-4-sulfonamide
CID 61394896
1-[(3-chlorophenyl)methyl]pyrazole-4-sulfonamide
CID 63278705
5-fluoro-3,3,4,4-tetramethyl-1-pyrrolo[1,2-b]pyridazin-3-ylisoquinoline;trifluoromethanesulfonic acid
CID 159589570
pyridine-3-sulfonamide;hydrochloride
CID 67156649
CID 118692694
CID 118692694
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide
CID 104772593

Frequently Asked Questions

What is the IUPAC name of pyrrolo[1,2-b]pyridazine-3-sulfonamide?
The IUPAC name of pyrrolo[1,2-b]pyridazine-3-sulfonamide (CID 141072126) is pyrrolo[1,2-b]pyridazine-3-sulfonamide.
What is the SMILES notation for pyrrolo[1,2-b]pyridazine-3-sulfonamide?
The canonical SMILES for pyrrolo[1,2-b]pyridazine-3-sulfonamide is NS(=O)(=O)c1cnn2cccc2c1.
What is the InChIKey of pyrrolo[1,2-b]pyridazine-3-sulfonamide?
The InChIKey is LLJLOGOXWTVIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c8-13(11,12)7-4-6-2-1-3-10(6)9-5-7/h1-5H,(H2,8,11,12).
What are the key properties of pyrrolo[1,2-b]pyridazine-3-sulfonamide?
pyrrolo[1,2-b]pyridazine-3-sulfonamide has a molecular weight of 197.22 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[1,2-b]pyridazine-3-sulfonamide is sourced from PubChem (CID 141072126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).