1-pyridazin-3-ylpropane-2-sulfonamide

C7H11N3O2S — CID 140565022

IUPAC1-pyridazin-3-ylpropane-2-sulfonamide
SMILESCC(Cc1cccnn1)S(N)(=O)=O
InChIInChI=1S/C7H11N3O2S/c1-6(13(8,11)12)5-7-3-2-4-9-10-7/h2-4,6H,5H2,1H3,(H2,8,11,12)
InChIKeyHQRSWAJALCCIBQ-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.30
Rot. Bonds3

About 1-pyridazin-3-ylpropane-2-sulfonamide

1-pyridazin-3-ylpropane-2-sulfonamide (PubChem CID 140565022) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-pyridazin-3-ylpropane-2-sulfonamide.

Molecular Properties

Compound Name1-pyridazin-3-ylpropane-2-sulfonamide
PubChem CID140565022
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name1-pyridazin-3-ylpropane-2-sulfonamide
SMILESCC(Cc1cccnn1)S(N)(=O)=O
InChIInChI=1S/C7H11N3O2S/c1-6(13(8,11)12)5-7-3-2-4-9-10-7/h2-4,6H,5H2,1H3,(H2,8,11,12)
InChIKeyHQRSWAJALCCIBQ-UHFFFAOYSA-N
XLogP-0.30
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-Mercaptomethylpyridazine
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N-[(E)-1-(1-oxidopyridazin-1-ium-3-yl)ethylideneamino]benzenesulfonamide
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N-[(Z)-1-(1-oxidopyridazin-1-ium-3-yl)ethylideneamino]benzenesulfonamide
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CID 165345493
3-(2-Acetylthiopropyl)pyridazine
CID 15475352
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CID 22385635
N-(pyridazin-3-ylmethylsulfanyl)formamide
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Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-3-ylpropane-2-sulfonamide?
The IUPAC name of 1-pyridazin-3-ylpropane-2-sulfonamide (CID 140565022) is 1-pyridazin-3-ylpropane-2-sulfonamide.
What is the SMILES notation for 1-pyridazin-3-ylpropane-2-sulfonamide?
The canonical SMILES for 1-pyridazin-3-ylpropane-2-sulfonamide is CC(Cc1cccnn1)S(N)(=O)=O.
What is the InChIKey of 1-pyridazin-3-ylpropane-2-sulfonamide?
The InChIKey is HQRSWAJALCCIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-6(13(8,11)12)5-7-3-2-4-9-10-7/h2-4,6H,5H2,1H3,(H2,8,11,12).
What are the key properties of 1-pyridazin-3-ylpropane-2-sulfonamide?
1-pyridazin-3-ylpropane-2-sulfonamide has a molecular weight of 201.25 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-3-ylpropane-2-sulfonamide is sourced from PubChem (CID 140565022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).