N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide

C9H12N2O6S — CID 113247071

IUPACN-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C9H12N2O6S/c1-17-4-5-18(15,16)10-8-6-7(11(13)14)2-3-9(8)12/h2-3,6,10,12H,4-5H2,1H3
InChIKeyZZTVNTZIBJGRBH-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.69
Rot. Bonds6

About N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide

N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide (PubChem CID 113247071) has the molecular formula C9H12N2O6S and a molecular weight of 276.27 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide
PubChem CID113247071
Molecular FormulaC9H12N2O6S
Molecular Weight276.27 g/mol
Exact Mass276.04
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C9H12N2O6S/c1-17-4-5-18(15,16)10-8-6-7(11(13)14)2-3-9(8)12/h2-3,6,10,12H,4-5H2,1H3
InChIKeyZZTVNTZIBJGRBH-UHFFFAOYSA-N
XLogP0.69
TPSA118.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylsulfonylamino)-5-nitrobenzoic acid
CID 63110697
2-(ethylsulfamoylamino)-4-nitrophenol
CID 107745997
1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide
CID 107745976
1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide
CID 107745986
3-[(2-methoxy-4-nitrophenyl)sulfamoyl]propanoic acid
CID 43361824
N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide
CID 90518275
2-methoxy-N-[2-(4-nitrophenyl)ethyl]ethanesulfonamide
CID 110311225
N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide
CID 60641413
1-cyclopropyl-N-(2-hydroxy-4-nitrophenyl)methanesulfonamide
CID 107745957
N-(2-hydroxy-5-methylphenyl)-2-(2-nitrophenyl)ethanesulfonamide
CID 167907178
4-[(2-methyl-4-nitrophenyl)sulfamoyl]butanoic acid
CID 43712843
N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 103717307

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide (CID 113247071) is N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide?
The InChIKey is ZZTVNTZIBJGRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O6S/c1-17-4-5-18(15,16)10-8-6-7(11(13)14)2-3-9(8)12/h2-3,6,10,12H,4-5H2,1H3.
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide?
N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide has a molecular weight of 276.27 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 113247071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).