2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide

C23H19ClFN3O4S — CID 21079612

IUPAC2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)Cc1ccc(C)c(Oc2cc(Cl)cc(C#N)c2)c1F
InChIInChI=1S/C23H19ClFN3O4S/c1-13-3-4-16(22(25)23(13)32-18-9-15(12-26)8-17(24)11-18)10-21(29)28-20-6-5-19(7-14(20)2)33(27,30)31/h3-9,11H,10H2,1-2H3,(H,28,29)(H2,27,30,31)
InChIKeyUIPRZHLZHGCKJZ-UHFFFAOYSA-N
MW487.94 g/mol
LogP4.59
Rot. Bonds6

About 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide

2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide (PubChem CID 21079612) has the molecular formula C23H19ClFN3O4S and a molecular weight of 487.94 g/mol. Its IUPAC name is 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
PubChem CID21079612
Molecular FormulaC23H19ClFN3O4S
Molecular Weight487.94 g/mol
Exact Mass487.08
IUPAC Name2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)Cc1ccc(C)c(Oc2cc(Cl)cc(C#N)c2)c1F
InChIInChI=1S/C23H19ClFN3O4S/c1-13-3-4-16(22(25)23(13)32-18-9-15(12-26)8-17(24)11-18)10-21(29)28-20-6-5-19(7-14(20)2)33(27,30)31/h3-9,11H,10H2,1-2H3,(H,28,29)(H2,27,30,31)
InChIKeyUIPRZHLZHGCKJZ-UHFFFAOYSA-N
XLogP4.59
TPSA122.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.94
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(3-chloro-5-cyano-phenoxy)-4-ethyl-2-fluoro-phenoxy]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 24966730
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
2-[4-(4-cyano-2-methyl-phenoxy)-2,3-dimethyl-phenyl]-N-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 49768066
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-(2-methyl-4-sulfamoyl-phenyl)acetamide
CID 49768077
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 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide (CID 21079612) is 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide is Cc1cc(S(N)(=O)=O)ccc1NC(=O)Cc1ccc(C)c(Oc2cc(Cl)cc(C#N)c2)c1F.
What is the InChIKey of 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
The InChIKey is UIPRZHLZHGCKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O4S/c1-13-3-4-16(22(25)23(13)32-18-9-15(12-26)8-17(24)11-18)10-21(29)28-20-6-5-19(7-14(20)2)33(27,30)31/h3-9,11H,10H2,1-2H3,(H,28,29)(H2,27,30,31).
What are the key properties of 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide?
2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide has a molecular weight of 487.94 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 21079612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).