(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid

C9H9FN2O6S — CID 54991572

IUPAC(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)O
InChIInChI=1S/C9H9FN2O6S/c1-5(9(13)14)11-19(17,18)8-4-6(12(15)16)2-3-7(8)10/h2-5,11H,1H3,(H,13,14)/t5-/m1/s1
InChIKeyMYTAVIQNKKMUQC-RXMQYKEDSA-N
MW292.24 g/mol
LogP0.49
Rot. Bonds5

About (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid

(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid (PubChem CID 54991572) has the molecular formula C9H9FN2O6S and a molecular weight of 292.24 g/mol. Its IUPAC name is (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid
PubChem CID54991572
Molecular FormulaC9H9FN2O6S
Molecular Weight292.24 g/mol
Exact Mass292.02
IUPAC Name(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)O
InChIInChI=1S/C9H9FN2O6S/c1-5(9(13)14)11-19(17,18)8-4-6(12(15)16)2-3-7(8)10/h2-5,11H,1H3,(H,13,14)/t5-/m1/s1
InChIKeyMYTAVIQNKKMUQC-RXMQYKEDSA-N
XLogP0.49
TPSA126.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104965162
(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 107824112
N-(1,3-dihydroxypropan-2-yl)-2-fluoro-5-nitrobenzenesulfonamide
CID 65314454
(2S)-2-[(2-methoxy-4-nitrophenyl)sulfonylamino]propanoic acid
CID 61132115
4-[(2-fluoro-5-nitrophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80537671
N-(1-cyanopropan-2-yl)-2-fluoro-5-nitrobenzenesulfonamide
CID 62092809
(2S)-2-[(4-fluoro-2-nitrophenyl)sulfonylamino]propanoic acid
CID 29285627
(2S)-2-[(3-nitrophenyl)sulfonylamino]propanoic acid
CID 30080051
2-[(3-nitrophenyl)sulfonylamino]propanoic acid
CID 16785952
(2R)-2-[(2-nitrophenyl)sulfonylamino]propanoic acid
CID 767454
2-[(2-nitrophenyl)sulfonylamino]propanoic acid
CID 4668880
(2S)-2-[(2-nitrophenyl)sulfonylamino]propanoic acid
CID 767456

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid (CID 54991572) is (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid is C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)O.
What is the InChIKey of (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid?
The InChIKey is MYTAVIQNKKMUQC-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H9FN2O6S/c1-5(9(13)14)11-19(17,18)8-4-6(12(15)16)2-3-7(8)10/h2-5,11H,1H3,(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid?
(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid has a molecular weight of 292.24 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 54991572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).