(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid

C10H11FN2O7S — CID 107824112

IUPAC(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESO=C(O)[C@@H](CCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H11FN2O7S/c11-7-2-1-6(13(17)18)5-9(7)21(19,20)12-8(3-4-14)10(15)16/h1-2,5,8,12,14H,3-4H2,(H,15,16)/t8-/m1/s1
InChIKeyVYCPCXFYZBRRLN-MRVPVSSYSA-N
MW322.27 g/mol
LogP-0.15
Rot. Bonds7

About (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid

(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid (PubChem CID 107824112) has the molecular formula C10H11FN2O7S and a molecular weight of 322.27 g/mol. Its IUPAC name is (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid
PubChem CID107824112
Molecular FormulaC10H11FN2O7S
Molecular Weight322.27 g/mol
Exact Mass322.03
IUPAC Name(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid
SMILESO=C(O)[C@@H](CCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H11FN2O7S/c11-7-2-1-6(13(17)18)5-9(7)21(19,20)12-8(3-4-14)10(15)16/h1-2,5,8,12,14H,3-4H2,(H,15,16)/t8-/m1/s1
InChIKeyVYCPCXFYZBRRLN-MRVPVSSYSA-N
XLogP-0.15
TPSA146.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 5-0.15
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

(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid
CID 54991572
(2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751484
(2S)-2-[(3-fluoro-2-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935102
N-(1,3-dihydroxypropan-2-yl)-2-fluoro-5-nitrobenzenesulfonamide
CID 65314454
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-5-nitrobenzenesulfonamide
CID 106156998
4-[(2-fluoro-5-nitrophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80537671
(2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104965162
(2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933845
2-[(2,5-dichlorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244796
(2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid
CID 28544839
N-(1-cyanopropan-2-yl)-2-fluoro-5-nitrobenzenesulfonamide
CID 62092809
(2R)-2-[(3-fluoro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933822

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid (CID 107824112) is (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid is O=C(O)[C@@H](CCO)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid?
The InChIKey is VYCPCXFYZBRRLN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11FN2O7S/c11-7-2-1-6(13(17)18)5-9(7)21(19,20)12-8(3-4-14)10(15)16/h1-2,5,8,12,14H,3-4H2,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid?
(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid has a molecular weight of 322.27 g/mol, XLogP of -0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107824112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).