2-[4-(benzylsulfamoyl)phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C22H18ClF3N2O4S — CID 1211176

IUPAC2-[4-(benzylsulfamoyl)phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C22H18ClF3N2O4S/c23-20-11-6-16(12-19(20)22(24,25)26)28-21(29)14-32-17-7-9-18(10-8-17)33(30,31)27-13-15-4-2-1-3-5-15/h1-12,27H,13-14H2,(H,28,29)
InChIKeyABFFYWPSFLPDQG-UHFFFAOYSA-N
MW498.91 g/mol
LogP4.85
Rot. Bonds8

About 2-[4-(benzylsulfamoyl)phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2-[4-(benzylsulfamoyl)phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1211176) has the molecular formula C22H18ClF3N2O4S and a molecular weight of 498.91 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID1211176
Molecular FormulaC22H18ClF3N2O4S
Molecular Weight498.91 g/mol
Exact Mass498.06
IUPAC Name2-[4-(benzylsulfamoyl)phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C22H18ClF3N2O4S/c23-20-11-6-16(12-19(20)22(24,25)26)28-21(29)14-32-17-7-9-18(10-8-17)33(30,31)27-13-15-4-2-1-3-5-15/h1-12,27H,13-14H2,(H,28,29)
InChIKeyABFFYWPSFLPDQG-UHFFFAOYSA-N
XLogP4.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.91
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfamoyl)phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(benzylsulfamoyl)phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 1211176) is 2-[4-(benzylsulfamoyl)phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(benzylsulfamoyl)phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(benzylsulfamoyl)phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ABFFYWPSFLPDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N2O4S/c23-20-11-6-16(12-19(20)22(24,25)26)28-21(29)14-32-17-7-9-18(10-8-17)33(30,31)27-13-15-4-2-1-3-5-15/h1-12,27H,13-14H2,(H,28,29).
What are the key properties of 2-[4-(benzylsulfamoyl)phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-[4-(benzylsulfamoyl)phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 498.91 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylsulfamoyl)phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1211176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).