2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide

C9H11N3O6S — CID 106169538

IUPAC2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide
SMILESNC(=O)C(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H11N3O6S/c10-9(14)8(13)5-11-19(17,18)7-3-1-2-6(4-7)12(15)16/h1-4,8,11,13H,5H2,(H2,10,14)
InChIKeyAEXGHCRMSHEDCG-UHFFFAOYSA-N
MW289.27 g/mol
LogP-1.28
Rot. Bonds6

About 2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide

2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide (PubChem CID 106169538) has the molecular formula C9H11N3O6S and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide
PubChem CID106169538
Molecular FormulaC9H11N3O6S
Molecular Weight289.27 g/mol
Exact Mass289.04
IUPAC Name2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide
SMILESNC(=O)C(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H11N3O6S/c10-9(14)8(13)5-11-19(17,18)7-3-1-2-6(4-7)12(15)16/h1-4,8,11,13H,5H2,(H2,10,14)
InChIKeyAEXGHCRMSHEDCG-UHFFFAOYSA-N
XLogP-1.28
TPSA152.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 5-1.28
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

N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide
CID 104626179
N-(2-hydroxy-4-methylpentyl)-3-nitrobenzenesulfonamide
CID 104626172
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-nitrobenzenesulfonamide
CID 90497380
3-[(3,4-dimethylphenyl)sulfonylamino]-2-hydroxypropanamide
CID 106169276
2-[(3-nitrophenyl)sulfonylamino]propanoic acid
CID 16785952
(2S)-2-[(3-nitrophenyl)sulfonylamino]propanoic acid
CID 30080051
N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65112756
2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide
CID 107258388
5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168283
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-2-hydroxypropanamide
CID 107258346
N-[(3-aminophenyl)methyl]-3-nitrobenzenesulfonamide
CID 43593516
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-nitrobenzenesulfonamide
CID 43956490

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide (CID 106169538) is 2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide is NC(=O)C(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide?
The InChIKey is AEXGHCRMSHEDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O6S/c10-9(14)8(13)5-11-19(17,18)7-3-1-2-6(4-7)12(15)16/h1-4,8,11,13H,5H2,(H2,10,14).
What are the key properties of 2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide?
2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide has a molecular weight of 289.27 g/mol, XLogP of -1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 106169538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).