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

C10H9ClF3NO5S — CID 80755920

IUPAC(2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO5S/c11-7-2-1-5(3-6(7)10(12,13)14)21(19,20)15-8(4-16)9(17)18/h1-3,8,15-16H,4H2,(H,17,18)/t8-/m1/s1
InChIKeyOWDPDKXWPMOPJR-MRVPVSSYSA-N
MW347.70 g/mol
LogP1.08
Rot. Bonds5

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

(2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-hydroxypropanoic acid (PubChem CID 80755920) has the molecular formula C10H9ClF3NO5S and a molecular weight of 347.70 g/mol. Its IUPAC name is (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-hydroxypropanoic acid
PubChem CID80755920
Molecular FormulaC10H9ClF3NO5S
Molecular Weight347.70 g/mol
Exact Mass346.98
IUPAC Name(2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NO5S/c11-7-2-1-5(3-6(7)10(12,13)14)21(19,20)15-8(4-16)9(17)18/h1-3,8,15-16H,4H2,(H,17,18)/t8-/m1/s1
InChIKeyOWDPDKXWPMOPJR-MRVPVSSYSA-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

2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 3464013
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 3270164
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 43091688
(2S)-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 103087572
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 61141715
4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 40811378
methyl N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]carbamate
CID 8501015
4-chloro-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65113160
(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
CID 106605478
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 75505555
[2-(2-methylpropylamino)-2-oxoethyl] 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 42899436

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-hydroxypropanoic acid (CID 80755920) is (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-hydroxypropanoic acid is O=C(O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-hydroxypropanoic acid?
The InChIKey is OWDPDKXWPMOPJR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9ClF3NO5S/c11-7-2-1-5(3-6(7)10(12,13)14)21(19,20)15-8(4-16)9(17)18/h1-3,8,15-16H,4H2,(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-hydroxypropanoic acid?
(2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-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 (2R)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80755920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).