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

C22H16Cl2FN3O4S — CID 11511778

IUPAC2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)c(F)c1Oc1cc(Cl)cc(C#N)c1
InChIInChI=1S/C22H16Cl2FN3O4S/c1-12-2-3-14(21(25)22(12)32-16-7-13(11-26)6-15(23)9-16)8-20(29)28-19-5-4-17(10-18(19)24)33(27,30)31/h2-7,9-10H,8H2,1H3,(H,28,29)(H2,27,30,31)
InChIKeyPLANMQHXOFXSJG-UHFFFAOYSA-N
MW508.36 g/mol
LogP4.93
Rot. Bonds6

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

2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide (PubChem CID 11511778) has the molecular formula C22H16Cl2FN3O4S and a molecular weight of 508.36 g/mol. Its IUPAC name is 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
PubChem CID11511778
Molecular FormulaC22H16Cl2FN3O4S
Molecular Weight508.36 g/mol
Exact Mass507.02
IUPAC Name2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)c(F)c1Oc1cc(Cl)cc(C#N)c1
InChIInChI=1S/C22H16Cl2FN3O4S/c1-12-2-3-14(21(25)22(12)32-16-7-13(11-26)6-15(23)9-16)8-20(29)28-19-5-4-17(10-18(19)24)33(27,30)31/h2-7,9-10H,8H2,1H3,(H,28,29)(H2,27,30,31)
InChIKeyPLANMQHXOFXSJG-UHFFFAOYSA-N
XLogP4.93
TPSA122.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.36
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide (CID 11511778) is 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2Cl)c(F)c1Oc1cc(Cl)cc(C#N)c1.
What is the InChIKey of 2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide?
The InChIKey is PLANMQHXOFXSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2FN3O4S/c1-12-2-3-14(21(25)22(12)32-16-7-13(11-26)6-15(23)9-16)8-20(29)28-19-5-4-17(10-18(19)24)33(27,30)31/h2-7,9-10H,8H2,1H3,(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-chloro-4-sulfamoylphenyl)acetamide?
2-[3-(3-chloro-5-cyanophenoxy)-2-fluoro-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide has a molecular weight of 508.36 g/mol, XLogP of 4.93, 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-chloro-4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 11511778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).