4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide

C11H12N4O2S — CID 62483660

IUPAC4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2cccnn2)cc1
InChIInChI=1S/C11H12N4O2S/c12-18(16,17)10-5-3-9(4-6-10)8-13-11-2-1-7-14-15-11/h1-7H,8H2,(H,13,15)(H2,12,16,17)
InChIKeyRIRYTUDHXYWPEM-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.74
Rot. Bonds4

About 4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide

4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide (PubChem CID 62483660) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide
PubChem CID62483660
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2cccnn2)cc1
InChIInChI=1S/C11H12N4O2S/c12-18(16,17)10-5-3-9(4-6-10)8-13-11-2-1-7-14-15-11/h1-7H,8H2,(H,13,15)(H2,12,16,17)
InChIKeyRIRYTUDHXYWPEM-UHFFFAOYSA-N
XLogP0.74
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide?
The IUPAC name of 4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide (CID 62483660) is 4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2cccnn2)cc1.
What is the InChIKey of 4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide?
The InChIKey is RIRYTUDHXYWPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c12-18(16,17)10-5-3-9(4-6-10)8-13-11-2-1-7-14-15-11/h1-7H,8H2,(H,13,15)(H2,12,16,17).
What are the key properties of 4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide?
4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide has a molecular weight of 264.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pyridazin-3-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 62483660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).