(2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid

C9H9FN2O7S — CID 80751484

IUPAC(2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C9H9FN2O7S/c10-6-3-5(12(16)17)1-2-8(6)20(18,19)11-7(4-13)9(14)15/h1-3,7,11,13H,4H2,(H,14,15)/t7-/m1/s1
InChIKeyRRWJKDHOZXVZHD-SSDOTTSWSA-N
MW308.24 g/mol
LogP-0.54
Rot. Bonds6

About (2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid

(2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid (PubChem CID 80751484) has the molecular formula C9H9FN2O7S and a molecular weight of 308.24 g/mol. Its IUPAC name is (2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid
PubChem CID80751484
Molecular FormulaC9H9FN2O7S
Molecular Weight308.24 g/mol
Exact Mass308.01
IUPAC Name(2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C9H9FN2O7S/c10-6-3-5(12(16)17)1-2-8(6)20(18,19)11-7(4-13)9(14)15/h1-3,7,11,13H,4H2,(H,14,15)/t7-/m1/s1
InChIKeyRRWJKDHOZXVZHD-SSDOTTSWSA-N
XLogP-0.54
TPSA146.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

3-hydroxy-2-[(4-nitrophenyl)sulfonylamino]propanoic acid
CID 16782521
(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 107824112
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-4-nitrobenzenesulfonamide
CID 103918620
(2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid
CID 28544839
(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid
CID 54991572
N-(1,3-dihydroxypropan-2-yl)-2-fluoro-5-nitrobenzenesulfonamide
CID 65314454
(2R)-2-[(2-fluoro-5-methylsulfonylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 80755904
(2R)-2-[(2-fluoro-5-nitrophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80757769
(2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104965162
2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-4-nitrobenzenesulfonamide
CID 115362999
2-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-4-nitrobenzenesulfonamide
CID 104600274
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 43091688

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid (CID 80751484) is (2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid is O=C(O)[C@@H](CO)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of (2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid?
The InChIKey is RRWJKDHOZXVZHD-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9FN2O7S/c10-6-3-5(12(16)17)1-2-8(6)20(18,19)11-7(4-13)9(14)15/h1-3,7,11,13H,4H2,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid?
(2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid has a molecular weight of 308.24 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80751484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).