2-[2-[4-(diethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid

C19H20F3NO5S — CID 11258980

IUPAC2-[2-[4-(diethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1
InChIInChI=1S/C19H20F3NO5S/c1-3-23(4-2)29(26,27)15-8-5-13(6-9-15)16-11-14(19(20,21)22)7-10-17(16)28-12-18(24)25/h5-11H,3-4,12H2,1-2H3,(H,24,25)
InChIKeyAJOOJNSIVXELDW-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.87
Rot. Bonds8

About 2-[2-[4-(diethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid

2-[2-[4-(diethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid (PubChem CID 11258980) has the molecular formula C19H20F3NO5S and a molecular weight of 431.43 g/mol. Its IUPAC name is 2-[2-[4-(diethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(diethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid
PubChem CID11258980
Molecular FormulaC19H20F3NO5S
Molecular Weight431.43 g/mol
Exact Mass431.10
IUPAC Name2-[2-[4-(diethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1
InChIInChI=1S/C19H20F3NO5S/c1-3-23(4-2)29(26,27)15-8-5-13(6-9-15)16-11-14(19(20,21)22)7-10-17(16)28-12-18(24)25/h5-11H,3-4,12H2,1-2H3,(H,24,25)
InChIKeyAJOOJNSIVXELDW-UHFFFAOYSA-N
XLogP3.87
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[4-(diethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(diethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-[4-(diethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid (CID 11258980) is 2-[2-[4-(diethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(diethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(diethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid is CCN(CC)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1.
What is the InChIKey of 2-[2-[4-(diethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid?
The InChIKey is AJOOJNSIVXELDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO5S/c1-3-23(4-2)29(26,27)15-8-5-13(6-9-15)16-11-14(19(20,21)22)7-10-17(16)28-12-18(24)25/h5-11H,3-4,12H2,1-2H3,(H,24,25).
What are the key properties of 2-[2-[4-(diethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid?
2-[2-[4-(diethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid has a molecular weight of 431.43 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(diethylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid is sourced from PubChem (CID 11258980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).