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

C13H11ClF3N3O2S — CID 175901472

IUPACN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
SMILESCN(C(c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1cccnn1
InChIInChI=1S/C13H11ClF3N3O2S/c1-20(23(21,22)11-3-2-8-18-19-11)12(13(15,16)17)9-4-6-10(14)7-5-9/h2-8,12H,1H3
InChIKeyKUDPTNRULGAHSJ-UHFFFAOYSA-N
MW365.76 g/mol
LogP3.05
Rot. Bonds4

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

N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide (PubChem CID 175901472) has the molecular formula C13H11ClF3N3O2S and a molecular weight of 365.76 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
PubChem CID175901472
Molecular FormulaC13H11ClF3N3O2S
Molecular Weight365.76 g/mol
Exact Mass365.02
IUPAC NameN-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide
SMILESCN(C(c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1cccnn1
InChIInChI=1S/C13H11ClF3N3O2S/c1-20(23(21,22)11-3-2-8-18-19-11)12(13(15,16)17)9-4-6-10(14)7-5-9/h2-8,12H,1H3
InChIKeyKUDPTNRULGAHSJ-UHFFFAOYSA-N
XLogP3.05
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.76
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide (CID 175901472) is N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide is CN(C(c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1cccnn1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide?
The InChIKey is KUDPTNRULGAHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O2S/c1-20(23(21,22)11-3-2-8-18-19-11)12(13(15,16)17)9-4-6-10(14)7-5-9/h2-8,12H,1H3.
What are the key properties of N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide?
N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide has a molecular weight of 365.76 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-N-methylpyridazine-3-sulfonamide is sourced from PubChem (CID 175901472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).