5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-sulfamoylbenzamide

C16H16Cl2FN3O5S — CID 72949618

IUPAC5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-sulfamoylbenzamide
SMILESCC(C)COc1ncc(Oc2cc(F)c(C(=O)NS(N)(=O)=O)cc2Cl)cc1Cl
InChIInChI=1S/C16H16Cl2FN3O5S/c1-8(2)7-26-16-12(18)3-9(6-21-16)27-14-5-13(19)10(4-11(14)17)15(23)22-28(20,24)25/h3-6,8H,7H2,1-2H3,(H,22,23)(H2,20,24,25)
InChIKeyVJNGZBOWNFQGQM-UHFFFAOYSA-N
MW452.29 g/mol
LogP3.29
Rot. Bonds7

About 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-sulfamoylbenzamide

5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-sulfamoylbenzamide (PubChem CID 72949618) has the molecular formula C16H16Cl2FN3O5S and a molecular weight of 452.29 g/mol. Its IUPAC name is 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-sulfamoylbenzamide.

Molecular Properties

Compound Name5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-sulfamoylbenzamide
PubChem CID72949618
Molecular FormulaC16H16Cl2FN3O5S
Molecular Weight452.29 g/mol
Exact Mass451.02
IUPAC Name5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-sulfamoylbenzamide
SMILESCC(C)COc1ncc(Oc2cc(F)c(C(=O)NS(N)(=O)=O)cc2Cl)cc1Cl
InChIInChI=1S/C16H16Cl2FN3O5S/c1-8(2)7-26-16-12(18)3-9(6-21-16)27-14-5-13(19)10(4-11(14)17)15(23)22-28(20,24)25/h3-6,8H,7H2,1-2H3,(H,22,23)(H2,20,24,25)
InChIKeyVJNGZBOWNFQGQM-UHFFFAOYSA-N
XLogP3.29
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.29
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-sulfamoylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-sulfamoylbenzamide?
The IUPAC name of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-sulfamoylbenzamide (CID 72949618) is 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-sulfamoylbenzamide.
What is the SMILES notation for 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-sulfamoylbenzamide?
The canonical SMILES for 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-sulfamoylbenzamide is CC(C)COc1ncc(Oc2cc(F)c(C(=O)NS(N)(=O)=O)cc2Cl)cc1Cl.
What is the InChIKey of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-sulfamoylbenzamide?
The InChIKey is VJNGZBOWNFQGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN3O5S/c1-8(2)7-26-16-12(18)3-9(6-21-16)27-14-5-13(19)10(4-11(14)17)15(23)22-28(20,24)25/h3-6,8H,7H2,1-2H3,(H,22,23)(H2,20,24,25).
What are the key properties of 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-sulfamoylbenzamide?
5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-sulfamoylbenzamide has a molecular weight of 452.29 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]oxy]-2-fluoro-N-sulfamoylbenzamide is sourced from PubChem (CID 72949618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).