2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide

C9H11N3O6S — CID 103800076

IUPAC2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide
SMILESNS(=O)(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C9H11N3O6S/c10-19(17,18)5-4-11-9(14)6-2-1-3-7(8(6)13)12(15)16/h1-3,13H,4-5H2,(H,11,14)(H2,10,17,18)
InChIKeySXPYGLJSJUSICM-UHFFFAOYSA-N
MW289.27 g/mol
LogP-0.68
Rot. Bonds5

About 2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide

2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide (PubChem CID 103800076) has the molecular formula C9H11N3O6S and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide
PubChem CID103800076
Molecular FormulaC9H11N3O6S
Molecular Weight289.27 g/mol
Exact Mass289.04
IUPAC Name2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide
SMILESNS(=O)(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C9H11N3O6S/c10-19(17,18)5-4-11-9(14)6-2-1-3-7(8(6)13)12(15)16/h1-3,13H,4-5H2,(H,11,14)(H2,10,17,18)
InChIKeySXPYGLJSJUSICM-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

2-amino-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 112699109
N-but-3-ynyl-2-hydroxy-3-nitrobenzamide
CID 113264555
5-hydroxy-2-nitro-N-(2-sulfamoylethyl)benzamide
CID 102741166
3-hydrazinyl-2-nitro-N-(2-sulfamoylethyl)benzamide
CID 113333609
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
2,6-dihydroxy-N-(2-sulfamoylethyl)benzamide
CID 103890316
2-hydroxy-3-nitro-N-octylbenzamide
CID 107076295
CID 58418423
CID 58418423
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-hydroxy-3-nitrobenzamide
CID 103800075
2-hydroxy-3-nitro-N-prop-2-ynylbenzamide
CID 103746299
2-amino-N-(2-sulfamoylethyl)benzamide
CID 43551552
2-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]-3-nitrobenzamide
CID 107076623

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide?
The IUPAC name of 2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide (CID 103800076) is 2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide.
What is the SMILES notation for 2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide?
The canonical SMILES for 2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide is NS(=O)(=O)CCNC(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide?
The InChIKey is SXPYGLJSJUSICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O6S/c10-19(17,18)5-4-11-9(14)6-2-1-3-7(8(6)13)12(15)16/h1-3,13H,4-5H2,(H,11,14)(H2,10,17,18).
What are the key properties of 2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide?
2-hydroxy-3-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 2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide is sourced from PubChem (CID 103800076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).