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

C13H11ClF3N3O2S — CID 175581064

IUPACN-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
SMILESCN(C(F)(c1ccc(Cl)cc1)C(F)F)S(=O)(=O)c1cccnn1
InChIInChI=1S/C13H11ClF3N3O2S/c1-20(23(21,22)11-3-2-8-18-19-11)13(17,12(15)16)9-4-6-10(14)7-5-9/h2-8,12H,1H3
InChIKeyRMPIWEQEFZSJDR-UHFFFAOYSA-N
MW365.76 g/mol
LogP2.84
Rot. Bonds5

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

N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide (PubChem CID 175581064) has the molecular formula C13H11ClF3N3O2S and a molecular weight of 365.76 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
PubChem CID175581064
Molecular FormulaC13H11ClF3N3O2S
Molecular Weight365.76 g/mol
Exact Mass365.02
IUPAC NameN-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
SMILESCN(C(F)(c1ccc(Cl)cc1)C(F)F)S(=O)(=O)c1cccnn1
InChIInChI=1S/C13H11ClF3N3O2S/c1-20(23(21,22)11-3-2-8-18-19-11)13(17,12(15)16)9-4-6-10(14)7-5-9/h2-8,12H,1H3
InChIKeyRMPIWEQEFZSJDR-UHFFFAOYSA-N
XLogP2.84
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.76
LogP ≤ 52.84
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

US20250115569, Example 70
CID 176509338
5-Chloro-2,4-difluoro-3-pyridazin-3-ylbenzenesulfonamide
CID 142788170
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
6-chloro-N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
CID 175581319
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
CID 175901472
US20250115569, Example 209
CID 176509412
5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 167852370
N-methyl-3-pyridazin-4-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 171911009
4-(5-Chloropyridazin-3-yl)benzenesulfonamide
CID 67822548
2-chloro-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089471

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide (CID 175581064) is N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide?
The canonical SMILES for 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)c1cccnn1.
What is the InChIKey of N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide?
The InChIKey is RMPIWEQEFZSJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O2S/c1-20(23(21,22)11-3-2-8-18-19-11)13(17,12(15)16)9-4-6-10(14)7-5-9/h2-8,12H,1H3.
What are the key properties of N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide?
N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide has a molecular weight of 365.76 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-1,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide is sourced from PubChem (CID 175581064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).