2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid

C12H9F3N2O4S2 — CID 87546298

IUPAC2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NS(=O)(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H9F3N2O4S2/c13-12(14,15)8-3-1-2-4-9(8)23(20,21)17-11-16-7(6-22-11)5-10(18)19/h1-4,6H,5H2,(H,16,17)(H,18,19)
InChIKeyGWMOORRTYWJCEJ-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.59
Rot. Bonds5

About 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 87546298) has the molecular formula C12H9F3N2O4S2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID87546298
Molecular FormulaC12H9F3N2O4S2
Molecular Weight366.34 g/mol
Exact Mass366.00
IUPAC Name2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NS(=O)(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H9F3N2O4S2/c13-12(14,15)8-3-1-2-4-9(8)23(20,21)17-11-16-7(6-22-11)5-10(18)19/h1-4,6H,5H2,(H,16,17)(H,18,19)
InChIKeyGWMOORRTYWJCEJ-UHFFFAOYSA-N
XLogP2.59
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid (CID 87546298) is 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NS(=O)(=O)c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is GWMOORRTYWJCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O4S2/c13-12(14,15)8-3-1-2-4-9(8)23(20,21)17-11-16-7(6-22-11)5-10(18)19/h1-4,6H,5H2,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 366.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 87546298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).