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

C18H16F3NO5S — CID 11441408

IUPAC2-[2-[4-(cyclopropylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H16F3NO5S/c19-18(20,21)12-3-8-16(27-10-17(23)24)15(9-12)11-1-6-14(7-2-11)28(25,26)22-13-4-5-13/h1-3,6-9,13,22H,4-5,10H2,(H,23,24)
InChIKeyCIAPJPXVLYXLOB-UHFFFAOYSA-N
MW415.39 g/mol
LogP3.28
Rot. Bonds7

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

2-[2-[4-(cyclopropylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid (PubChem CID 11441408) has the molecular formula C18H16F3NO5S and a molecular weight of 415.39 g/mol. Its IUPAC name is 2-[2-[4-(cyclopropylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(cyclopropylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid
PubChem CID11441408
Molecular FormulaC18H16F3NO5S
Molecular Weight415.39 g/mol
Exact Mass415.07
IUPAC Name2-[2-[4-(cyclopropylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H16F3NO5S/c19-18(20,21)12-3-8-16(27-10-17(23)24)15(9-12)11-1-6-14(7-2-11)28(25,26)22-13-4-5-13/h1-3,6-9,13,22H,4-5,10H2,(H,23,24)
InChIKeyCIAPJPXVLYXLOB-UHFFFAOYSA-N
XLogP3.28
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(cyclopropylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-[4-(cyclopropylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid (CID 11441408) is 2-[2-[4-(cyclopropylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(cyclopropylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(cyclopropylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid is O=C(O)COc1ccc(C(F)(F)F)cc1-c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 2-[2-[4-(cyclopropylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid?
The InChIKey is CIAPJPXVLYXLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO5S/c19-18(20,21)12-3-8-16(27-10-17(23)24)15(9-12)11-1-6-14(7-2-11)28(25,26)22-13-4-5-13/h1-3,6-9,13,22H,4-5,10H2,(H,23,24).
What are the key properties of 2-[2-[4-(cyclopropylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid?
2-[2-[4-(cyclopropylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid has a molecular weight of 415.39 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(cyclopropylsulfamoyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid is sourced from PubChem (CID 11441408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).