2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide

C10H13N3O6S — CID 107258388

IUPAC2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide
SMILESNC(=O)C(O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O6S/c11-10(15)9(14)5-12-20(18,19)6-7-1-3-8(4-2-7)13(16)17/h1-4,9,12,14H,5-6H2,(H2,11,15)
InChIKeySTIRILIBBZITEG-UHFFFAOYSA-N
MW303.30 g/mol
LogP-1.14
Rot. Bonds7

About 2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide

2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide (PubChem CID 107258388) has the molecular formula C10H13N3O6S and a molecular weight of 303.30 g/mol. Its IUPAC name is 2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide
PubChem CID107258388
Molecular FormulaC10H13N3O6S
Molecular Weight303.30 g/mol
Exact Mass303.05
IUPAC Name2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide
SMILESNC(=O)C(O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O6S/c11-10(15)9(14)5-12-20(18,19)6-7-1-3-8(4-2-7)13(16)17/h1-4,9,12,14H,5-6H2,(H2,11,15)
InChIKeySTIRILIBBZITEG-UHFFFAOYSA-N
XLogP-1.14
TPSA152.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 5-1.14
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-aminopropyl)-1-(4-nitrophenyl)methanesulfonamide
CID 63732751
(2S)-2-[(4-nitrophenyl)methylsulfonylamino]propanoic acid
CID 28523651
N-[2-methyl-3-(methylamino)propyl]-1-(4-nitrophenyl)methanesulfonamide
CID 115302833
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide
CID 119976062
2-hydroxy-3-[(3-nitrophenyl)sulfonylamino]propanamide
CID 106169538
2-[(4-methylphenyl)methyl]-3-[(4-nitrophenyl)methylsulfonylamino]propanoic acid
CID 167887981
2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid
CID 63915357
2-[(4-nitrophenyl)methylsulfonylamino]ethanesulfonamide
CID 61132756
2-hydroxy-3-[1-(4-nitrophenyl)ethylamino]propanamide
CID 114153568
N-(2,3-dihydroxy-2-methylpropyl)-1-(4-nitrophenyl)methanesulfonamide
CID 66169697
1-(4-nitrophenyl)-N-prop-2-ynylmethanesulfonamide
CID 58956310
1-[[(4-nitrophenyl)methylsulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450275

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide (CID 107258388) is 2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide is NC(=O)C(O)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide?
The InChIKey is STIRILIBBZITEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6S/c11-10(15)9(14)5-12-20(18,19)6-7-1-3-8(4-2-7)13(16)17/h1-4,9,12,14H,5-6H2,(H2,11,15).
What are the key properties of 2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide?
2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide has a molecular weight of 303.30 g/mol, XLogP of -1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide is sourced from PubChem (CID 107258388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).