(2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid

C9H9ClFNO4S — CID 54991248

IUPAC(2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1cccc(Cl)c1F)C(=O)O
InChIInChI=1S/C9H9ClFNO4S/c1-5(9(13)14)12-17(15,16)7-4-2-3-6(10)8(7)11/h2-5,12H,1H3,(H,13,14)/t5-/m1/s1
InChIKeyZMUQIFQHEWXVAE-RXMQYKEDSA-N
MW281.69 g/mol
LogP1.23
Rot. Bonds4

About (2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid

(2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid (PubChem CID 54991248) has the molecular formula C9H9ClFNO4S and a molecular weight of 281.69 g/mol. Its IUPAC name is (2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid
PubChem CID54991248
Molecular FormulaC9H9ClFNO4S
Molecular Weight281.69 g/mol
Exact Mass280.99
IUPAC Name(2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1cccc(Cl)c1F)C(=O)O
InChIInChI=1S/C9H9ClFNO4S/c1-5(9(13)14)12-17(15,16)7-4-2-3-6(10)8(7)11/h2-5,12H,1H3,(H,13,14)/t5-/m1/s1
InChIKeyZMUQIFQHEWXVAE-RXMQYKEDSA-N
XLogP1.23
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-2-fluorophenyl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 43468111
(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
CID 103862701
3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837095
2-[(2-methylsulfanylphenyl)sulfonylamino]propanoic acid
CID 122068116
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
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(2S)-2-[(2,3-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 61137287
N-(1-amino-4-methylpentan-2-yl)-3-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 119983149
3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502012
(2R)-2-[(3-chloro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 79010898
(2R)-2-(isoquinolin-5-ylsulfonylamino)propanoic acid
CID 54991574
2-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]propanoic acid
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2-[1-(3-chloro-2-fluorophenyl)sulfonylazetidin-3-yl]propanoic acid
CID 116681791

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid (CID 54991248) is (2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid is C[C@@H](NS(=O)(=O)c1cccc(Cl)c1F)C(=O)O.
What is the InChIKey of (2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid?
The InChIKey is ZMUQIFQHEWXVAE-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H9ClFNO4S/c1-5(9(13)14)12-17(15,16)7-4-2-3-6(10)8(7)11/h2-5,12H,1H3,(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid?
(2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid has a molecular weight of 281.69 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 54991248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).