(2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid

C10H11FN2O7S — CID 104965162

IUPAC(2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)O
InChIInChI=1S/C10H11FN2O7S/c1-5(14)9(10(15)16)12-21(19,20)8-4-6(13(17)18)2-3-7(8)11/h2-5,9,12,14H,1H3,(H,15,16)/t5-,9+/m1/s1
InChIKeyYSHNPAMESFOWAI-ANLVUFKYSA-N
MW322.27 g/mol
LogP-0.15
Rot. Bonds6

About (2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid

(2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid (PubChem CID 104965162) has the molecular formula C10H11FN2O7S and a molecular weight of 322.27 g/mol. Its IUPAC name is (2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid
PubChem CID104965162
Molecular FormulaC10H11FN2O7S
Molecular Weight322.27 g/mol
Exact Mass322.03
IUPAC Name(2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)O
InChIInChI=1S/C10H11FN2O7S/c1-5(14)9(10(15)16)12-21(19,20)8-4-6(13(17)18)2-3-7(8)11/h2-5,9,12,14H,1H3,(H,15,16)/t5-,9+/m1/s1
InChIKeyYSHNPAMESFOWAI-ANLVUFKYSA-N
XLogP-0.15
TPSA146.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
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
2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 82846398
(2S)-2-[(2-chloro-4-nitrophenyl)sulfonylamino]-3-methylbutanoic acid
CID 28542226
(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 107824112
4-[(2-fluoro-5-nitrophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80537671
N-(1-cyanopropan-2-yl)-2-fluoro-5-nitrobenzenesulfonamide
CID 62092809
N-(1,3-dihydroxypropan-2-yl)-2-fluoro-5-nitrobenzenesulfonamide
CID 65314454
N-(2-amino-3-hydroxybutyl)-2-fluoro-5-nitrobenzenesulfonamide
CID 64539787
(2S,3R)-3-hydroxy-2-[[2-nitro-4-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 102251134
(2S,3R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 93302578
(2R)-2-[(2-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 80751484
(2S)-3-methyl-2-[[4-(4-nitrophenyl)phenyl]sulfonylamino]butanoic acid
CID 10833497

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid (CID 104965162) is (2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid is C[C@@H](O)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1F)C(=O)O.
What is the InChIKey of (2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid?
The InChIKey is YSHNPAMESFOWAI-ANLVUFKYSA-N. The full InChI is InChI=1S/C10H11FN2O7S/c1-5(14)9(10(15)16)12-21(19,20)8-4-6(13(17)18)2-3-7(8)11/h2-5,9,12,14H,1H3,(H,15,16)/t5-,9+/m1/s1.
What are the key properties of (2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid?
(2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid has a molecular weight of 322.27 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 104965162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).