N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide

C11H7ClF3N3O3S — CID 13050847

IUPACN-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(Cl)nn2)cc1)C(F)(F)F
InChIInChI=1S/C11H7ClF3N3O3S/c12-9-5-6-10(17-16-9)21-8-3-1-7(2-4-8)18-22(19,20)11(13,14)15/h1-6,18H
InChIKeyUPUBTGCZLBYHGA-UHFFFAOYSA-N
MW353.71 g/mol
LogP3.18
Rot. Bonds4

About N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide

N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 13050847) has the molecular formula C11H7ClF3N3O3S and a molecular weight of 353.71 g/mol. Its IUPAC name is N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID13050847
Molecular FormulaC11H7ClF3N3O3S
Molecular Weight353.71 g/mol
Exact Mass352.98
IUPAC NameN-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(Cl)nn2)cc1)C(F)(F)F
InChIInChI=1S/C11H7ClF3N3O3S/c12-9-5-6-10(17-16-9)21-8-3-1-7(2-4-8)18-22(19,20)11(13,14)15/h1-6,18H
InChIKeyUPUBTGCZLBYHGA-UHFFFAOYSA-N
XLogP3.18
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.71
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide (CID 13050847) is N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(Nc1ccc(Oc2ccc(Cl)nn2)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is UPUBTGCZLBYHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O3S/c12-9-5-6-10(17-16-9)21-8-3-1-7(2-4-8)18-22(19,20)11(13,14)15/h1-6,18H.
What are the key properties of N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide?
N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 353.71 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 13050847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).