6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide

C13H10Cl2F3N3O2S — CID 175581319

IUPAC6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
SMILESCN(C(F)(c1ccc(Cl)cc1)C(F)F)S(=O)(=O)c1ccc(Cl)nn1
InChIInChI=1S/C13H10Cl2F3N3O2S/c1-21(24(22,23)11-7-6-10(15)19-20-11)13(18,12(16)17)8-2-4-9(14)5-3-8/h2-7,12H,1H3
InChIKeyUBTXZJHRRCKJME-UHFFFAOYSA-N
MW400.21 g/mol
LogP3.49
Rot. Bonds5

About 6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide

6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide (PubChem CID 175581319) has the molecular formula C13H10Cl2F3N3O2S and a molecular weight of 400.21 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
PubChem CID175581319
Molecular FormulaC13H10Cl2F3N3O2S
Molecular Weight400.21 g/mol
Exact Mass398.98
IUPAC Name6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
SMILESCN(C(F)(c1ccc(Cl)cc1)C(F)F)S(=O)(=O)c1ccc(Cl)nn1
InChIInChI=1S/C13H10Cl2F3N3O2S/c1-21(24(22,23)11-7-6-10(15)19-20-11)13(18,12(16)17)8-2-4-9(14)5-3-8/h2-7,12H,1H3
InChIKeyUBTXZJHRRCKJME-UHFFFAOYSA-N
XLogP3.49
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.21
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzenesulfonamide
CID 90060784
4-(6-Chloropyridazin-3-yl)-2-fluorobenzenesulfonamide
CID 118282474
1-(4-chlorophenyl)-2,2,2-trifluoro-N-methyl-N-pyridazin-3-ylsulfanylethanamine
CID 168899197
N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
CID 169932571
6-chloro-N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
CID 172216135
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
US20250115569, Example 209
CID 176509412
3-Chloro-6-[4-chloro-3-(piperidin-1-ylsulfonyl)phenyl]pyridazine
CID 24229117

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide (CID 175581319) is 6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide is CN(C(F)(c1ccc(Cl)cc1)C(F)F)S(=O)(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide?
The InChIKey is UBTXZJHRRCKJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O2S/c1-21(24(22,23)11-7-6-10(15)19-20-11)13(18,12(16)17)8-2-4-9(14)5-3-8/h2-7,12H,1H3.
What are the key properties of 6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide?
6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide has a molecular weight of 400.21 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide is sourced from PubChem (CID 175581319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).