5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide

C10H12N2O6S — CID 102741327

IUPAC5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide
SMILESCS(=O)(=O)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O6S/c1-19(17,18)5-4-11-10(14)8-6-7(13)2-3-9(8)12(15)16/h2-3,6,13H,4-5H2,1H3,(H,11,14)
InChIKeyNDXCXLJCDSZXEG-UHFFFAOYSA-N
MW288.28 g/mol
LogP0.07
Rot. Bonds5

About 5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide

5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide (PubChem CID 102741327) has the molecular formula C10H12N2O6S and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide
PubChem CID102741327
Molecular FormulaC10H12N2O6S
Molecular Weight288.28 g/mol
Exact Mass288.04
IUPAC Name5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide
SMILESCS(=O)(=O)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O6S/c1-19(17,18)5-4-11-10(14)8-6-7(13)2-3-9(8)12(15)16/h2-3,6,13H,4-5H2,1H3,(H,11,14)
InChIKeyNDXCXLJCDSZXEG-UHFFFAOYSA-N
XLogP0.07
TPSA126.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.07
H-Bond Donors ≤ 52
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-2-nitro-N-(2-sulfamoylethyl)benzamide
CID 102741166
N-but-3-ynyl-5-hydroxy-2-nitrobenzamide
CID 102741872
N-(3,3-dimethylbutyl)-5-hydroxy-2-nitrobenzamide
CID 107076627
N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide
CID 102740736
N-[3-(dimethylamino)propyl]-5-hydroxy-2-nitrobenzamide
CID 102740857
5-(methylamino)-N-(3-methylsulfonylpropyl)-2-nitrobenzamide
CID 62181569
ethyl 3-[(5-hydroxy-2-nitrobenzoyl)amino]propanoate
CID 99798720
ethyl 4-[(5-hydroxy-2-nitrobenzoyl)amino]butanoate
CID 107076096
5-hydroxy-2-nitro-N-(2-pyridin-4-ylethyl)benzamide
CID 102741309
5-hydroxy-N-(2-methylbutyl)-2-nitrobenzamide
CID 102741753
5-hydroxy-N-[(5-methylthiophen-2-yl)methyl]-2-nitrobenzamide
CID 102741722
N-(2-bromoprop-2-enyl)-5-hydroxy-2-nitrobenzamide
CID 107076548

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide?
The IUPAC name of 5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide (CID 102741327) is 5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide.
What is the SMILES notation for 5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide?
The canonical SMILES for 5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide is CS(=O)(=O)CCNC(=O)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide?
The InChIKey is NDXCXLJCDSZXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6S/c1-19(17,18)5-4-11-10(14)8-6-7(13)2-3-9(8)12(15)16/h2-3,6,13H,4-5H2,1H3,(H,11,14).
What are the key properties of 5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide?
5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide has a molecular weight of 288.28 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(2-methylsulfonylethyl)-2-nitrobenzamide is sourced from PubChem (CID 102741327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).