(2R)-2-[4-(trifluoromethylsulfonylamino)phenyl]propanoic acid

C10H10F3NO4S — CID 10193078

IUPAC(2R)-2-[4-(trifluoromethylsulfonylamino)phenyl]propanoic acid
SMILESC[C@@H](C(=O)O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO4S/c1-6(9(15)16)7-2-4-8(5-3-7)14-19(17,18)10(11,12)13/h2-6,14H,1H3,(H,15,16)/t6-/m1/s1
InChIKeyKWEWNIWFSORZGC-ZCFIWIBFSA-N
MW297.25 g/mol
LogP2.14
Rot. Bonds4

About (2R)-2-[4-(trifluoromethylsulfonylamino)phenyl]propanoic acid

(2R)-2-[4-(trifluoromethylsulfonylamino)phenyl]propanoic acid (PubChem CID 10193078) has the molecular formula C10H10F3NO4S and a molecular weight of 297.25 g/mol. Its IUPAC name is (2R)-2-[4-(trifluoromethylsulfonylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(trifluoromethylsulfonylamino)phenyl]propanoic acid
PubChem CID10193078
Molecular FormulaC10H10F3NO4S
Molecular Weight297.25 g/mol
Exact Mass297.03
IUPAC Name(2R)-2-[4-(trifluoromethylsulfonylamino)phenyl]propanoic acid
SMILESC[C@@H](C(=O)O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO4S/c1-6(9(15)16)7-2-4-8(5-3-7)14-19(17,18)10(11,12)13/h2-6,14H,1H3,(H,15,16)/t6-/m1/s1
InChIKeyKWEWNIWFSORZGC-ZCFIWIBFSA-N
XLogP2.14
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(trifluoromethylsulfonylamino)phenyl]propanoic acid?
The IUPAC name of (2R)-2-[4-(trifluoromethylsulfonylamino)phenyl]propanoic acid (CID 10193078) is (2R)-2-[4-(trifluoromethylsulfonylamino)phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-[4-(trifluoromethylsulfonylamino)phenyl]propanoic acid?
The canonical SMILES for (2R)-2-[4-(trifluoromethylsulfonylamino)phenyl]propanoic acid is C[C@@H](C(=O)O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-[4-(trifluoromethylsulfonylamino)phenyl]propanoic acid?
The InChIKey is KWEWNIWFSORZGC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10F3NO4S/c1-6(9(15)16)7-2-4-8(5-3-7)14-19(17,18)10(11,12)13/h2-6,14H,1H3,(H,15,16)/t6-/m1/s1.
What are the key properties of (2R)-2-[4-(trifluoromethylsulfonylamino)phenyl]propanoic acid?
(2R)-2-[4-(trifluoromethylsulfonylamino)phenyl]propanoic acid has a molecular weight of 297.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(trifluoromethylsulfonylamino)phenyl]propanoic acid is sourced from PubChem (CID 10193078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).