2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide

C8H9N3O6S — CID 43217851

IUPAC2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H9N3O6S/c9-8(13)4-10-18(16,17)5-1-2-7(12)6(3-5)11(14)15/h1-3,10,12H,4H2,(H2,9,13)
InChIKeyHHJUWRFFCFTKPH-UHFFFAOYSA-N
MW275.24 g/mol
LogP-0.94
Rot. Bonds5

About 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide

2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide (PubChem CID 43217851) has the molecular formula C8H9N3O6S and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide
PubChem CID43217851
Molecular FormulaC8H9N3O6S
Molecular Weight275.24 g/mol
Exact Mass275.02
IUPAC Name2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H9N3O6S/c9-8(13)4-10-18(16,17)5-1-2-7(12)6(3-5)11(14)15/h1-3,10,12H,4H2,(H2,9,13)
InChIKeyHHJUWRFFCFTKPH-UHFFFAOYSA-N
XLogP-0.94
TPSA152.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 5-0.94
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

2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43400349
N-(2-amino-2-ethylbutyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 115306079
N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 43398029
3-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427428
4-hydroxy-N-(3-methylbut-2-enyl)-3-nitrobenzenesulfonamide
CID 106191096
4-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)-3-nitrobenzenesulfonamide
CID 106143830
4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide
CID 60700422
2-[[(4-hydroxy-3-nitrophenyl)sulfonylamino]methyl]butanoic acid
CID 65222533
4-hydroxy-N-(2-hydroxy-2-methylbutyl)-3-nitrobenzenesulfonamide
CID 65112999
3-[(4-hydroxy-3-nitrophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 106108273
4-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide
CID 106245630
4-(chloromethylsulfonyl)-2-nitrophenol
CID 12707623

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide?
The IUPAC name of 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide (CID 43217851) is 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide.
What is the SMILES notation for 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide?
The canonical SMILES for 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide is NC(=O)CNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide?
The InChIKey is HHJUWRFFCFTKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O6S/c9-8(13)4-10-18(16,17)5-1-2-7(12)6(3-5)11(14)15/h1-3,10,12H,4H2,(H2,9,13).
What are the key properties of 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide?
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide has a molecular weight of 275.24 g/mol, XLogP of -0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 43217851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).