N-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-methylpyridazine-4-sulfonamide

C15H18FN3O2S — CID 176509352

IUPACN-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-methylpyridazine-4-sulfonamide
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)c1cnnc(C)c1
InChIInChI=1S/C15H18FN3O2S/c1-4-19(12(3)13-5-7-14(16)8-6-13)22(20,21)15-9-11(2)18-17-10-15/h5-10,12H,4H2,1-3H3
InChIKeyPXRSDUTZTQYGSE-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.70
Rot. Bonds5

About N-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-methylpyridazine-4-sulfonamide

N-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-methylpyridazine-4-sulfonamide (PubChem CID 176509352) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-methylpyridazine-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-methylpyridazine-4-sulfonamide
PubChem CID176509352
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC NameN-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-methylpyridazine-4-sulfonamide
SMILESCCN(C(C)c1ccc(F)cc1)S(=O)(=O)c1cnnc(C)c1
InChIInChI=1S/C15H18FN3O2S/c1-4-19(12(3)13-5-7-14(16)8-6-13)22(20,21)15-9-11(2)18-17-10-15/h5-10,12H,4H2,1-3H3
InChIKeyPXRSDUTZTQYGSE-UHFFFAOYSA-N
XLogP2.70
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-methylpyridazine-4-sulfonamide?
The IUPAC name of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-methylpyridazine-4-sulfonamide (CID 176509352) is N-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-methylpyridazine-4-sulfonamide.
What is the SMILES notation for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-methylpyridazine-4-sulfonamide?
The canonical SMILES for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-methylpyridazine-4-sulfonamide is CCN(C(C)c1ccc(F)cc1)S(=O)(=O)c1cnnc(C)c1.
What is the InChIKey of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-methylpyridazine-4-sulfonamide?
The InChIKey is PXRSDUTZTQYGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-4-19(12(3)13-5-7-14(16)8-6-13)22(20,21)15-9-11(2)18-17-10-15/h5-10,12H,4H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-methylpyridazine-4-sulfonamide?
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-methylpyridazine-4-sulfonamide has a molecular weight of 323.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-fluorophenyl)ethyl]-6-methylpyridazine-4-sulfonamide is sourced from PubChem (CID 176509352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).