(2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid

C10H10F3NO4S — CID 141071562

IUPAC(2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid
SMILESC[C@H](C(=O)O)c1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H10F3NO4S/c1-6(9(15)16)7-4-2-3-5-8(7)14-19(17,18)10(11,12)13/h2-6,14H,1H3,(H,15,16)/t6-/m0/s1
InChIKeyFCYDCKRABVGOOV-LURJTMIESA-N
MW297.25 g/mol
LogP2.14
Rot. Bonds4

About (2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid

(2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid (PubChem CID 141071562) has the molecular formula C10H10F3NO4S and a molecular weight of 297.25 g/mol. Its IUPAC name is (2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid
PubChem CID141071562
Molecular FormulaC10H10F3NO4S
Molecular Weight297.25 g/mol
Exact Mass297.03
IUPAC Name(2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid
SMILESC[C@H](C(=O)O)c1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H10F3NO4S/c1-6(9(15)16)7-4-2-3-5-8(7)14-19(17,18)10(11,12)13/h2-6,14H,1H3,(H,15,16)/t6-/m0/s1
InChIKeyFCYDCKRABVGOOV-LURJTMIESA-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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Related Compounds

(2S)-2-[2-(benzenesulfonamido)phenyl]propanoic acid
CID 141071550
2-[2-(1,2,2,2-tetrafluoroethyl)phenyl]propanoic acid
CID 84728987
(2R)-2-[2-(methanesulfonamido)phenyl]propanamide
CID 66860798
N-(2-aminophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43605598
1,1,1-trifluoro-N-(4-fluoro-2-propan-2-ylphenyl)methanesulfonamide
CID 130409599
2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361
N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide
CID 12833907
1,1,1-trifluoro-N-(9-oxofluoren-1-yl)methanesulfonamide
CID 159790833
2-[2-(fluoromethyl)phenyl]propanoic acid
CID 18434881
N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416706
2-[3-(benzylamino)-2-methylphenyl]propanoic acid
CID 19764564
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]propanoic acid
CID 129389983

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid?
The IUPAC name of (2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid (CID 141071562) is (2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid is C[C@H](C(=O)O)c1ccccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of (2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid?
The InChIKey is FCYDCKRABVGOOV-LURJTMIESA-N. The full InChI is InChI=1S/C10H10F3NO4S/c1-6(9(15)16)7-4-2-3-5-8(7)14-19(17,18)10(11,12)13/h2-6,14H,1H3,(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid?
(2S)-2-[2-(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 (2S)-2-[2-(trifluoromethylsulfonylamino)phenyl]propanoic acid is sourced from PubChem (CID 141071562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).