2-[(2-nitrophenyl)sulfonylamino]propanoic acid

C9H10N2O6S — CID 4668880

IUPAC2-[(2-nitrophenyl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C9H10N2O6S/c1-6(9(12)13)10-18(16,17)8-5-3-2-4-7(8)11(14)15/h2-6,10H,1H3,(H,12,13)
InChIKeyIFHSAIAIMGLJBS-UHFFFAOYSA-N
MW274.25 g/mol
LogP0.35
Rot. Bonds5

About 2-[(2-nitrophenyl)sulfonylamino]propanoic acid

2-[(2-nitrophenyl)sulfonylamino]propanoic acid (PubChem CID 4668880) has the molecular formula C9H10N2O6S and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-[(2-nitrophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-nitrophenyl)sulfonylamino]propanoic acid
PubChem CID4668880
Molecular FormulaC9H10N2O6S
Molecular Weight274.25 g/mol
Exact Mass274.03
IUPAC Name2-[(2-nitrophenyl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C9H10N2O6S/c1-6(9(12)13)10-18(16,17)8-5-3-2-4-7(8)11(14)15/h2-6,10H,1H3,(H,12,13)
InChIKeyIFHSAIAIMGLJBS-UHFFFAOYSA-N
XLogP0.35
TPSA126.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 50.35
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

(2R)-2-[(2-nitrophenyl)sulfonylamino]propanoic acid
CID 767454
(2S)-2-[(2-nitrophenyl)sulfonylamino]propanoic acid
CID 767456
(2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide
CID 95321208
(2S)-4-methyl-2-[(2-nitrophenyl)sulfonylamino]pentanoic acid
CID 702569
(2S)-2-[(4-fluoro-2-nitrophenyl)sulfonylamino]propanoic acid
CID 29285627
(2S)-2-[(2-nitrophenyl)sulfonylamino]butanedioic acid
CID 53474586
N-(1-chloropropan-2-yl)-2-nitrobenzenesulfonamide
CID 106442047
(2R)-2-[(2-fluoro-5-nitrophenyl)sulfonylamino]propanoic acid
CID 54991572
2-nitro-N-[(2R,3R)-3-[(2-nitrophenyl)sulfonylamino]-4-oxohexan-2-yl]benzenesulfonamide
CID 177433554
2-nitro-N-[2-[(2-nitrophenyl)sulfonylamino]propyl]benzenesulfonamide
CID 3749746
N-[1-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 42999446
(2S)-10-(methylamino)-2-[(2-nitrophenyl)sulfonylamino]decanoic acid
CID 67542806

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitrophenyl)sulfonylamino]propanoic acid?
The IUPAC name of 2-[(2-nitrophenyl)sulfonylamino]propanoic acid (CID 4668880) is 2-[(2-nitrophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[(2-nitrophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-[(2-nitrophenyl)sulfonylamino]propanoic acid is CC(NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O.
What is the InChIKey of 2-[(2-nitrophenyl)sulfonylamino]propanoic acid?
The InChIKey is IFHSAIAIMGLJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O6S/c1-6(9(12)13)10-18(16,17)8-5-3-2-4-7(8)11(14)15/h2-6,10H,1H3,(H,12,13).
What are the key properties of 2-[(2-nitrophenyl)sulfonylamino]propanoic acid?
2-[(2-nitrophenyl)sulfonylamino]propanoic acid has a molecular weight of 274.25 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitrophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 4668880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).