N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylpropanamide

C24H17Cl3FN3O5S — CID 11578049

IUPACN-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)c(Cl)c1
InChIInChI=1S/C24H17Cl3FN3O5S/c1-2-21(32)31-37(34,35)17-4-6-20(19(27)11-17)30-22(33)9-14-3-5-18(26)24(23(14)28)36-16-8-13(12-29)7-15(25)10-16/h3-8,10-11H,2,9H2,1H3,(H,30,33)(H,31,32)
InChIKeyIVMCUPHFWCWAEX-UHFFFAOYSA-N
MW584.84 g/mol
LogP5.85
Rot. Bonds8

About N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylpropanamide

N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylpropanamide (PubChem CID 11578049) has the molecular formula C24H17Cl3FN3O5S and a molecular weight of 584.84 g/mol. Its IUPAC name is N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylpropanamide
PubChem CID11578049
Molecular FormulaC24H17Cl3FN3O5S
Molecular Weight584.84 g/mol
Exact Mass582.99
IUPAC NameN-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylpropanamide
SMILESCCC(=O)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)c(Cl)c1
InChIInChI=1S/C24H17Cl3FN3O5S/c1-2-21(32)31-37(34,35)17-4-6-20(19(27)11-17)30-22(33)9-14-3-5-18(26)24(23(14)28)36-16-8-13(12-29)7-15(25)10-16/h3-8,10-11H,2,9H2,1H3,(H,30,33)(H,31,32)
InChIKeyIVMCUPHFWCWAEX-UHFFFAOYSA-N
XLogP5.85
TPSA125.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.84
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylpropanamide with MolForge

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Related Compounds

2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 11599486
Elsulfavirine
CID 11527519
Elsulfavirine sodium
CID 46175184
2-[3-chloro-4-(3,5-dicyanophenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide
CID 16223865
2-[3-chloro-4-(3,5-dicyanophenoxy)phenyl]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 49768055
2-[4-(3-chloro-5-cyano-phenoxy)-2,3-dimethyl-phenyl]-N-(2-chloro-4-sulfamoyl-phenyl)acetamide
CID 49768061
N-(2-Chloro-4-sulfamoyl-phenyl)-2-[4-(4-cyano-2-methyl-phenoxy)-2,3-dimethyl-phenyl]-acetamide
CID 49768067
2-[3-chloro-4-(2-chloro-5-cyano-phenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide
CID 49768076
2-[3-chloro-4-(2-chloro-5-cyano-phenoxy)phenyl]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 49768077
2-[3-chloro-4-(2-chloro-5-cyano-phenoxy)phenyl]-N-(2-chloro-4-sulfamoyl-phenyl)acetamide
CID 49768078
2-[3-chloro-4-(3-chloro-5-cyano-phenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide
CID 49768079
2-[3-chloro-4-(3-chloro-5-cyano-phenoxy)phenyl]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 49768080

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylpropanamide?
The IUPAC name of N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylpropanamide (CID 11578049) is N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylpropanamide.
What is the SMILES notation for N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylpropanamide?
The canonical SMILES for N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylpropanamide is CCC(=O)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylpropanamide?
The InChIKey is IVMCUPHFWCWAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl3FN3O5S/c1-2-21(32)31-37(34,35)17-4-6-20(19(27)11-17)30-22(33)9-14-3-5-18(26)24(23(14)28)36-16-8-13(12-29)7-15(25)10-16/h3-8,10-11H,2,9H2,1H3,(H,30,33)(H,31,32).
What are the key properties of N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylpropanamide?
N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylpropanamide has a molecular weight of 584.84 g/mol, XLogP of 5.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[[2-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetyl]amino]phenyl]sulfonylpropanamide is sourced from PubChem (CID 11578049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).