5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide

C12H9ClF3N3O2S — CID 167852370

IUPAC5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(c1cccnn1)S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C12H9ClF3N3O2S/c1-19(11-3-2-6-17-18-11)22(20,21)10-7-8(13)4-5-9(10)12(14,15)16/h2-7H,1H3
InChIKeyDABCJROCXDQCMI-UHFFFAOYSA-N
MW351.74 g/mol
LogP2.97
Rot. Bonds3

About 5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide

5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 167852370) has the molecular formula C12H9ClF3N3O2S and a molecular weight of 351.74 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID167852370
Molecular FormulaC12H9ClF3N3O2S
Molecular Weight351.74 g/mol
Exact Mass351.01
IUPAC Name5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide
SMILESCN(c1cccnn1)S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C12H9ClF3N3O2S/c1-19(11-3-2-6-17-18-11)22(20,21)10-7-8(13)4-5-9(10)12(14,15)16/h2-7H,1H3
InChIKeyDABCJROCXDQCMI-UHFFFAOYSA-N
XLogP2.97
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide 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

3-chloro-4-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 58042287
5-chloro-2,4-difluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 59436602
5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 141274611
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
5-chloro-2-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084252
3-(4-((2-Chloro-5-(trifluoromethyl)phenyl)sulfonyl)piperazin-1-yl)pyridazine
CID 121060950
N-(6-Chloro-3-pyridazinyl)-N-methyl-p-toluenesulfonamide
CID 18509276
2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide
CID 100631540
3-(4-((5-Chloro-2-methylphenyl)sulfonyl)piperazin-1-yl)pyridazine
CID 121060975
3-(4-((3-Chloro-2-methylphenyl)sulfonyl)piperazin-1-yl)pyridazine
CID 121060976

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide (CID 167852370) is 5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide is CN(c1cccnn1)S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DABCJROCXDQCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O2S/c1-19(11-3-2-6-17-18-11)22(20,21)10-7-8(13)4-5-9(10)12(14,15)16/h2-7H,1H3.
What are the key properties of 5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide?
5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 351.74 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 167852370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).