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

C10H11FN2O6S — CID 82843747

IUPAC(2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid
SMILESCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)O
InChIInChI=1S/C10H11FN2O6S/c1-2-8(10(14)15)12-20(18,19)6-3-4-9(13(16)17)7(11)5-6/h3-5,8,12H,2H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyRHZDIKSUYVWPQN-MRVPVSSYSA-N
MW306.27 g/mol
LogP0.88
Rot. Bonds6

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

(2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid (PubChem CID 82843747) has the molecular formula C10H11FN2O6S and a molecular weight of 306.27 g/mol. Its IUPAC name is (2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid
PubChem CID82843747
Molecular FormulaC10H11FN2O6S
Molecular Weight306.27 g/mol
Exact Mass306.03
IUPAC Name(2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid
SMILESCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)O
InChIInChI=1S/C10H11FN2O6S/c1-2-8(10(14)15)12-20(18,19)6-3-4-9(13(16)17)7(11)5-6/h3-5,8,12H,2H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyRHZDIKSUYVWPQN-MRVPVSSYSA-N
XLogP0.88
TPSA126.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 50.88
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)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid
CID 104935577
2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 82846398
3-[(3-fluoro-4-nitrophenyl)sulfonylamino]-2-methylpropanoic acid
CID 82844659
(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid
CID 107564868
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid
CID 43415053
N-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide
CID 82839125
3-[(3-fluoro-4-nitrophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 106108278
(2S)-2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]pentanoic acid
CID 107564888
(2R)-2-[(3-bromo-4-chlorophenyl)sulfonylamino]butanoic acid
CID 106605478
2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid
CID 3110544
4-hydroxy-2-[(4-methyl-3-nitrophenyl)sulfonylamino]butanoic acid
CID 61244982
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoic acid
CID 43405402

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid?
The IUPAC name of (2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid (CID 82843747) is (2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid?
The canonical SMILES for (2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid is CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid?
The InChIKey is RHZDIKSUYVWPQN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11FN2O6S/c1-2-8(10(14)15)12-20(18,19)6-3-4-9(13(16)17)7(11)5-6/h3-5,8,12H,2H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid?
(2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid has a molecular weight of 306.27 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 82843747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).