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

C11H13FN2O6S — CID 107564868

IUPAC(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O
InChIInChI=1S/C11H13FN2O6S/c1-2-3-9(11(15)16)13-21(19,20)7-4-5-8(12)10(6-7)14(17)18/h4-6,9,13H,2-3H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyQSAAJQSUBLLPBQ-SECBINFHSA-N
MW320.30 g/mol
LogP1.27
Rot. Bonds7

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

(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid (PubChem CID 107564868) has the molecular formula C11H13FN2O6S and a molecular weight of 320.30 g/mol. Its IUPAC name is (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid
PubChem CID107564868
Molecular FormulaC11H13FN2O6S
Molecular Weight320.30 g/mol
Exact Mass320.05
IUPAC Name(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O
InChIInChI=1S/C11H13FN2O6S/c1-2-3-9(11(15)16)13-21(19,20)7-4-5-8(12)10(6-7)14(17)18/h4-6,9,13H,2-3H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyQSAAJQSUBLLPBQ-SECBINFHSA-N
XLogP1.27
TPSA126.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.27
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-hydroxy-3-nitrophenyl)sulfonylamino]pentanoic acid
CID 107564888
(2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid
CID 82843747
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]-N-propylpropanamide
CID 8800972
4-hydroxy-2-[(4-methyl-3-nitrophenyl)sulfonylamino]butanoic acid
CID 61244982
4-fluoro-N-(4-hydroxybutan-2-yl)-3-nitrobenzenesulfonamide
CID 83187988
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503
(2R)-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 107824092
N-(1-chloropropan-2-yl)-4-fluoro-3-nitrobenzenesulfonamide
CID 106442002
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 93252465

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid (CID 107564868) is (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid is CCC[C@@H](NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid?
The InChIKey is QSAAJQSUBLLPBQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H13FN2O6S/c1-2-3-9(11(15)16)13-21(19,20)7-4-5-8(12)10(6-7)14(17)18/h4-6,9,13H,2-3H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid?
(2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid has a molecular weight of 320.30 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluoro-3-nitrophenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 107564868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).