2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid

C12H14F3NO5S — CID 122071240

IUPAC2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C12H14F3NO5S/c1-2-5-16(7-11(18)19)22(20,21)10-6-8(12(13,14)15)3-4-9(10)17/h3-4,6,17H,2,5,7H2,1H3,(H,18,19)
InChIKeyAAZYUABWMAVPIH-UHFFFAOYSA-N
MW341.31 g/mol
LogP1.90
Rot. Bonds6

About 2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid

2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid (PubChem CID 122071240) has the molecular formula C12H14F3NO5S and a molecular weight of 341.31 g/mol. Its IUPAC name is 2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid
PubChem CID122071240
Molecular FormulaC12H14F3NO5S
Molecular Weight341.31 g/mol
Exact Mass341.05
IUPAC Name2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)c1cc(C(F)(F)F)ccc1O
InChIInChI=1S/C12H14F3NO5S/c1-2-5-16(7-11(18)19)22(20,21)10-6-8(12(13,14)15)3-4-9(10)17/h3-4,6,17H,2,5,7H2,1H3,(H,18,19)
InChIKeyAAZYUABWMAVPIH-UHFFFAOYSA-N
XLogP1.90
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid
CID 61007874
2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
CID 114533570
2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl-propylamino]acetic acid
CID 122039932
2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
CID 61008189
4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid
CID 154156894
2-[(2-fluoro-5-nitrophenyl)sulfonyl-propylamino]acetic acid
CID 61008941
2-chloro-N-(cyclopropylmethyl)-N-propyl-5-(trifluoromethyl)benzenesulfonamide
CID 55353365
2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid
CID 61008795
2-[N-propyl-4-(trifluoromethyl)anilino]acetic acid
CID 55136889
3-[methyl-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 120782419
2-[(4-chloro-2-methoxyphenyl)sulfonyl-propylamino]acetic acid
CID 61007535
3-[ethyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 61007490

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid?
The IUPAC name of 2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid (CID 122071240) is 2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid?
The canonical SMILES for 2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid is CCCN(CC(=O)O)S(=O)(=O)c1cc(C(F)(F)F)ccc1O.
What is the InChIKey of 2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid?
The InChIKey is AAZYUABWMAVPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO5S/c1-2-5-16(7-11(18)19)22(20,21)10-6-8(12(13,14)15)3-4-9(10)17/h3-4,6,17H,2,5,7H2,1H3,(H,18,19).
What are the key properties of 2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid?
2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid has a molecular weight of 341.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid is sourced from PubChem (CID 122071240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).