N'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide

C8H10N4O5S — CID 135248443

IUPACN'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide
SMILESN/C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])=N\O
InChIInChI=1S/C8H10N4O5S/c9-8(11-13)5-10-18(16,17)7-4-2-1-3-6(7)12(14)15/h1-4,10,13H,5H2,(H2,9,11)
InChIKeyFNWIBMFFKKHXKB-UHFFFAOYSA-N
MW274.26 g/mol
LogP-0.38
Rot. Bonds5

About N'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide

N'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide (PubChem CID 135248443) has the molecular formula C8H10N4O5S and a molecular weight of 274.26 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide
PubChem CID135248443
Molecular FormulaC8H10N4O5S
Molecular Weight274.26 g/mol
Exact Mass274.04
IUPAC NameN'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide
SMILESN/C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])=N\O
InChIInChI=1S/C8H10N4O5S/c9-8(11-13)5-10-18(16,17)7-4-2-1-3-6(7)12(14)15/h1-4,10,13H,5H2,(H2,9,11)
InChIKeyFNWIBMFFKKHXKB-UHFFFAOYSA-N
XLogP-0.38
TPSA147.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-nitro-N-phenacylbenzenesulfonamide
CID 12517296
N-(3-methyl-2-oxobut-3-enyl)-2-nitrobenzenesulfonamide
CID 71423746
N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930
2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
N-[(2-fluorophenyl)methyl]-2-nitrobenzenesulfonamide
CID 2578365
2-nitro-N-[3-[(2-nitrophenyl)sulfonyl-[2-[(2-nitrophenyl)sulfonyl-[3-[(2-nitrophenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 11104964
N-[2-benzyl-4-hydroxy-3-(hydroxymethyl)but-2-enyl]-2-nitrobenzenesulfonamide
CID 71492229
N-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide
CID 127031219
3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119329222
2-nitro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834025
[(2R)-4-hydroxy-1-[(2-nitrophenyl)sulfonylamino]butan-2-yl] acetate
CID 102137514
N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
CID 119973415

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide (CID 135248443) is N'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide is N/C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])=N\O.
What is the InChIKey of N'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide?
The InChIKey is FNWIBMFFKKHXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O5S/c9-8(11-13)5-10-18(16,17)7-4-2-1-3-6(7)12(14)15/h1-4,10,13H,5H2,(H2,9,11).
What are the key properties of N'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide?
N'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide has a molecular weight of 274.26 g/mol, XLogP of -0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide is sourced from PubChem (CID 135248443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).