(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid

C9H9ClFNO4S — CID 103862701

IUPAC(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)C(=O)O
InChIInChI=1S/C9H9ClFNO4S/c1-5(9(13)14)12-17(15,16)8-4-6(11)2-3-7(8)10/h2-5,12H,1H3,(H,13,14)/t5-/m1/s1
InChIKeyODWJVAWMURFBKJ-RXMQYKEDSA-N
MW281.69 g/mol
LogP1.23
Rot. Bonds4

About (2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid

(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid (PubChem CID 103862701) has the molecular formula C9H9ClFNO4S and a molecular weight of 281.69 g/mol. Its IUPAC name is (2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
PubChem CID103862701
Molecular FormulaC9H9ClFNO4S
Molecular Weight281.69 g/mol
Exact Mass280.99
IUPAC Name(2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)C(=O)O
InChIInChI=1S/C9H9ClFNO4S/c1-5(9(13)14)12-17(15,16)8-4-6(11)2-3-7(8)10/h2-5,12H,1H3,(H,13,14)/t5-/m1/s1
InChIKeyODWJVAWMURFBKJ-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-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 114517798
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 105399638
(2S,3S)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 103862725
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid
CID 104739176
(3R)-3-[(2-chloro-5-fluorophenyl)sulfonylamino]-4,4-dimethylpentanoic acid
CID 166259120
2-chloro-5-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide
CID 113381999
N-(1-bromopropan-2-yl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400691
(2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid
CID 54991248
(2S)-2-[(4-fluoro-2-nitrophenyl)sulfonylamino]propanoic acid
CID 29285627
N-(4-bromo-3-methylbutan-2-yl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400734
(2S,3R)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935327
(2S)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 61154149

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid (CID 103862701) is (2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid is C[C@@H](NS(=O)(=O)c1cc(F)ccc1Cl)C(=O)O.
What is the InChIKey of (2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid?
The InChIKey is ODWJVAWMURFBKJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H9ClFNO4S/c1-5(9(13)14)12-17(15,16)8-4-6(11)2-3-7(8)10/h2-5,12H,1H3,(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-2-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid?
(2R)-2-[(2-chloro-5-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-[(2-chloro-5-fluorophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 103862701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).