4-[2-(pyridazin-3-ylamino)ethyl]benzenesulfonamide

C12H14N4O2S — CID 62482443

IUPAC4-[2-(pyridazin-3-ylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2cccnn2)cc1
InChIInChI=1S/C12H14N4O2S/c13-19(17,18)11-5-3-10(4-6-11)7-9-14-12-2-1-8-15-16-12/h1-6,8H,7,9H2,(H,14,16)(H2,13,17,18)
InChIKeySZPUZLPRALODFK-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.78
Rot. Bonds5

About 4-[2-(pyridazin-3-ylamino)ethyl]benzenesulfonamide

4-[2-(pyridazin-3-ylamino)ethyl]benzenesulfonamide (PubChem CID 62482443) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-[2-(pyridazin-3-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(pyridazin-3-ylamino)ethyl]benzenesulfonamide
PubChem CID62482443
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name4-[2-(pyridazin-3-ylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2cccnn2)cc1
InChIInChI=1S/C12H14N4O2S/c13-19(17,18)11-5-3-10(4-6-11)7-9-14-12-2-1-8-15-16-12/h1-6,8H,7,9H2,(H,14,16)(H2,13,17,18)
InChIKeySZPUZLPRALODFK-UHFFFAOYSA-N
XLogP0.78
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyridazin-3-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(pyridazin-3-ylamino)ethyl]benzenesulfonamide (CID 62482443) is 4-[2-(pyridazin-3-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(pyridazin-3-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(pyridazin-3-ylamino)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2cccnn2)cc1.
What is the InChIKey of 4-[2-(pyridazin-3-ylamino)ethyl]benzenesulfonamide?
The InChIKey is SZPUZLPRALODFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c13-19(17,18)11-5-3-10(4-6-11)7-9-14-12-2-1-8-15-16-12/h1-6,8H,7,9H2,(H,14,16)(H2,13,17,18).
What are the key properties of 4-[2-(pyridazin-3-ylamino)ethyl]benzenesulfonamide?
4-[2-(pyridazin-3-ylamino)ethyl]benzenesulfonamide has a molecular weight of 278.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyridazin-3-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 62482443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).