5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide

C9H11N3O6S — CID 102741166

IUPAC5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide
SMILESNS(=O)(=O)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O6S/c10-19(17,18)4-3-11-9(14)7-5-6(13)1-2-8(7)12(15)16/h1-2,5,13H,3-4H2,(H,11,14)(H2,10,17,18)
InChIKeyPXXALJIXVQWSQV-UHFFFAOYSA-N
MW289.27 g/mol
LogP-0.68
Rot. Bonds5

About 5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide

5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide (PubChem CID 102741166) has the molecular formula C9H11N3O6S and a molecular weight of 289.27 g/mol. Its IUPAC name is 5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide.

Molecular Properties

Compound Name5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide
PubChem CID102741166
Molecular FormulaC9H11N3O6S
Molecular Weight289.27 g/mol
Exact Mass289.04
IUPAC Name5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide
SMILESNS(=O)(=O)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O6S/c10-19(17,18)4-3-11-9(14)7-5-6(13)1-2-8(7)12(15)16/h1-2,5,13H,3-4H2,(H,11,14)(H2,10,17,18)
InChIKeyPXXALJIXVQWSQV-UHFFFAOYSA-N
XLogP-0.68
TPSA152.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 5-0.68
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

5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide
CID 102741327
N-but-3-ynyl-5-hydroxy-2-nitrobenzamide
CID 102741872
2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 103800076
N-(3,3-dimethylbutyl)-5-hydroxy-2-nitrobenzamide
CID 107076627
2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 112699109
ethyl 3-[(5-hydroxy-2-nitrobenzoyl)amino]propanoate
CID 99798720
N-[3-(dimethylamino)propyl]-5-hydroxy-2-nitrobenzamide
CID 102740857
N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide
CID 102740736
ethyl 4-[(5-hydroxy-2-nitrobenzoyl)amino]butanoate
CID 107076096
5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide
CID 102741309
N-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide
CID 107076548
2-chloro-5-hydroxy-N-(3-sulfamoylpropyl)benzamide
CID 106501692

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide?
The IUPAC name of 5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide (CID 102741166) is 5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide.
What is the SMILES notation for 5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide?
The canonical SMILES for 5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide is NS(=O)(=O)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide?
The InChIKey is PXXALJIXVQWSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O6S/c10-19(17,18)4-3-11-9(14)7-5-6(13)1-2-8(7)12(15)16/h1-2,5,13H,3-4H2,(H,11,14)(H2,10,17,18).
What are the key properties of 5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide?
5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide has a molecular weight of 289.27 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide is sourced from PubChem (CID 102741166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).