2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide

C23H19ClFN3O4S — CID 21079577

IUPAC2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1cc(C#N)cc(F)c1Cl
InChIInChI=1S/C23H19ClFN3O4S/c1-2-16-4-3-14(10-20(16)32-21-11-15(13-26)9-19(25)23(21)24)12-22(29)28-17-5-7-18(8-6-17)33(27,30)31/h3-11H,2,12H2,1H3,(H,28,29)(H2,27,30,31)
InChIKeyWUPMQEYGJKQPOH-UHFFFAOYSA-N
MW487.94 g/mol
LogP4.53
Rot. Bonds7

About 2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide

2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 21079577) has the molecular formula C23H19ClFN3O4S and a molecular weight of 487.94 g/mol. Its IUPAC name is 2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID21079577
Molecular FormulaC23H19ClFN3O4S
Molecular Weight487.94 g/mol
Exact Mass487.08
IUPAC Name2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1cc(C#N)cc(F)c1Cl
InChIInChI=1S/C23H19ClFN3O4S/c1-2-16-4-3-14(10-20(16)32-21-11-15(13-26)9-19(25)23(21)24)12-22(29)28-17-5-7-18(8-6-17)33(27,30)31/h3-11H,2,12H2,1H3,(H,28,29)(H2,27,30,31)
InChIKeyWUPMQEYGJKQPOH-UHFFFAOYSA-N
XLogP4.53
TPSA122.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.94
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Chloro-4-fluoro-phenoxy)-4-cyano-
CID 90467626
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-[3-chloro-4-(3,5-dicyanophenoxy)phenyl]-N-[4-(1-piperidylsulfonyl)phenyl]acetamide
CID 49768056
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
2-[3-chloro-4-(3-chloro-5-cyano-phenoxy)phenyl]-N-(2-chloro-4-sulfamoyl-phenyl)acetamide
CID 49768081
2-[3-chloro-4-(4-cyano-2-methyl-phenoxy)phenyl]-N-(4-sulfamoylphenyl)acetamide
CID 49768084

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide (CID 21079577) is 2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide is CCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Oc1cc(C#N)cc(F)c1Cl.
What is the InChIKey of 2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is WUPMQEYGJKQPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O4S/c1-2-16-4-3-14(10-20(16)32-21-11-15(13-26)9-19(25)23(21)24)12-22(29)28-17-5-7-18(8-6-17)33(27,30)31/h3-11H,2,12H2,1H3,(H,28,29)(H2,27,30,31).
What are the key properties of 2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide?
2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 487.94 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-5-cyano-3-fluorophenoxy)-4-ethylphenyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 21079577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).