3-(pyridazin-3-ylamino)propane-1-sulfonamide

C7H12N4O2S — CID 62483676

IUPAC3-(pyridazin-3-ylamino)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNc1cccnn1
InChIInChI=1S/C7H12N4O2S/c8-14(12,13)6-2-4-9-7-3-1-5-10-11-7/h1,3,5H,2,4,6H2,(H,9,11)(H2,8,12,13)
InChIKeyDXLZTWPBDUBVGX-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.43
Rot. Bonds5

About 3-(pyridazin-3-ylamino)propane-1-sulfonamide

3-(pyridazin-3-ylamino)propane-1-sulfonamide (PubChem CID 62483676) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 3-(pyridazin-3-ylamino)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(pyridazin-3-ylamino)propane-1-sulfonamide
PubChem CID62483676
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name3-(pyridazin-3-ylamino)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNc1cccnn1
InChIInChI=1S/C7H12N4O2S/c8-14(12,13)6-2-4-9-7-3-1-5-10-11-7/h1,3,5H,2,4,6H2,(H,9,11)(H2,8,12,13)
InChIKeyDXLZTWPBDUBVGX-UHFFFAOYSA-N
XLogP-0.43
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridazin-3-ylamino)propane-1-sulfonamide?
The IUPAC name of 3-(pyridazin-3-ylamino)propane-1-sulfonamide (CID 62483676) is 3-(pyridazin-3-ylamino)propane-1-sulfonamide.
What is the SMILES notation for 3-(pyridazin-3-ylamino)propane-1-sulfonamide?
The canonical SMILES for 3-(pyridazin-3-ylamino)propane-1-sulfonamide is NS(=O)(=O)CCCNc1cccnn1.
What is the InChIKey of 3-(pyridazin-3-ylamino)propane-1-sulfonamide?
The InChIKey is DXLZTWPBDUBVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c8-14(12,13)6-2-4-9-7-3-1-5-10-11-7/h1,3,5H,2,4,6H2,(H,9,11)(H2,8,12,13).
What are the key properties of 3-(pyridazin-3-ylamino)propane-1-sulfonamide?
3-(pyridazin-3-ylamino)propane-1-sulfonamide has a molecular weight of 216.27 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridazin-3-ylamino)propane-1-sulfonamide is sourced from PubChem (CID 62483676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).