5-chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide

C10H6ClF2N3O2S — CID 142788170

IUPAC5-chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(F)c(-c2cccnn2)c1F
InChIInChI=1S/C10H6ClF2N3O2S/c11-5-4-7(19(14,17)18)10(13)8(9(5)12)6-2-1-3-15-16-6/h1-4H,(H2,14,17,18)
InChIKeySOTBTHOUAVUXBS-UHFFFAOYSA-N
MW305.69 g/mol
LogP1.72
Rot. Bonds2

About 5-chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide

5-chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide (PubChem CID 142788170) has the molecular formula C10H6ClF2N3O2S and a molecular weight of 305.69 g/mol. Its IUPAC name is 5-chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide
PubChem CID142788170
Molecular FormulaC10H6ClF2N3O2S
Molecular Weight305.69 g/mol
Exact Mass304.98
IUPAC Name5-chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(F)c(-c2cccnn2)c1F
InChIInChI=1S/C10H6ClF2N3O2S/c11-5-4-7(19(14,17)18)10(13)8(9(5)12)6-2-1-3-15-16-6/h1-4H,(H2,14,17,18)
InChIKeySOTBTHOUAVUXBS-UHFFFAOYSA-N
XLogP1.72
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide
CID 90060784
4-(6-Chloropyridazin-3-yl)-2-fluorobenzenesulfonamide
CID 118282474
N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
CID 169932571
N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
CID 175581064
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
CID 175901472
3-(aminomethyl)-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 106084197
5-(aminomethyl)-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089472
3-(aminomethyl)-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089495
5-(aminomethyl)-2,3-difluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089504
3-(aminomethyl)-5-chloro-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089537
3-(aminomethyl)-4-chloro-5-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089555
3-(aminomethyl)-4-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106895517

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 5-chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide (CID 142788170) is 5-chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide is NS(=O)(=O)c1cc(Cl)c(F)c(-c2cccnn2)c1F.
What is the InChIKey of 5-chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is SOTBTHOUAVUXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2N3O2S/c11-5-4-7(19(14,17)18)10(13)8(9(5)12)6-2-1-3-15-16-6/h1-4H,(H2,14,17,18).
What are the key properties of 5-chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide?
5-chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 305.69 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 142788170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).