(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid

C10H9ClF3NO5S — CID 104935898

IUPAC(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid
SMILESO=C(O)[C@@H](O)CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C10H9ClF3NO5S/c11-5-1-2-8(6(3-5)10(12,13)14)21(19,20)15-4-7(16)9(17)18/h1-3,7,15-16H,4H2,(H,17,18)/t7-/m0/s1
InChIKeyFZHPQEZZWBUZTN-ZETCQYMHSA-N
MW347.70 g/mol
LogP1.08
Rot. Bonds5

About (2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid

(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid (PubChem CID 104935898) has the molecular formula C10H9ClF3NO5S and a molecular weight of 347.70 g/mol. Its IUPAC name is (2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid
PubChem CID104935898
Molecular FormulaC10H9ClF3NO5S
Molecular Weight347.70 g/mol
Exact Mass346.98
IUPAC Name(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid
SMILESO=C(O)[C@@H](O)CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C10H9ClF3NO5S/c11-5-1-2-8(6(3-5)10(12,13)14)21(19,20)15-4-7(16)9(17)18/h1-3,7,15-16H,4H2,(H,17,18)/t7-/m0/s1
InChIKeyFZHPQEZZWBUZTN-ZETCQYMHSA-N
XLogP1.08
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.70
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(4-hydroxy-2-methylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 66109305
4-chloro-N-(2-methoxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 102697538
(2S)-3-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935815
4-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120664685
4-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 25335042
4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 114616396
3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66168147
4-chloro-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 75444567
4-chloro-2-(trifluoromethyl)benzenesulfonohydrazide
CID 43476927
(2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935868
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165035
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 55735011

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid (CID 104935898) is (2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid is O=C(O)[C@@H](O)CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of (2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid?
The InChIKey is FZHPQEZZWBUZTN-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9ClF3NO5S/c11-5-1-2-8(6(3-5)10(12,13)14)21(19,20)15-4-7(16)9(17)18/h1-3,7,15-16H,4H2,(H,17,18)/t7-/m0/s1.
What are the key properties of (2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid?
(2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid has a molecular weight of 347.70 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 104935898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).