2-[3-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid

C17H16F3NO5S — CID 19805554

IUPAC2-[3-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H16F3NO5S/c18-17(19,20)13-4-6-15(7-5-13)27(24,25)21-9-8-12-2-1-3-14(10-12)26-11-16(22)23/h1-7,10,21H,8-9,11H2,(H,22,23)
InChIKeyFISNNLDVYJHQMG-UHFFFAOYSA-N
MW403.38 g/mol
LogP2.69
Rot. Bonds8

About 2-[3-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid

2-[3-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid (PubChem CID 19805554) has the molecular formula C17H16F3NO5S and a molecular weight of 403.38 g/mol. Its IUPAC name is 2-[3-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid
PubChem CID19805554
Molecular FormulaC17H16F3NO5S
Molecular Weight403.38 g/mol
Exact Mass403.07
IUPAC Name2-[3-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H16F3NO5S/c18-17(19,20)13-4-6-15(7-5-13)27(24,25)21-9-8-12-2-1-3-14(10-12)26-11-16(22)23/h1-7,10,21H,8-9,11H2,(H,22,23)
InChIKeyFISNNLDVYJHQMG-UHFFFAOYSA-N
XLogP2.69
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid (CID 19805554) is 2-[3-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid is O=C(O)COc1cccc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[3-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid?
The InChIKey is FISNNLDVYJHQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO5S/c18-17(19,20)13-4-6-15(7-5-13)27(24,25)21-9-8-12-2-1-3-14(10-12)26-11-16(22)23/h1-7,10,21H,8-9,11H2,(H,22,23).
What are the key properties of 2-[3-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid?
2-[3-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid has a molecular weight of 403.38 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 19805554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).