N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide

C11H16N2O6S — CID 104626174

IUPACN-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
SMILESCOCCN(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O6S/c1-19-8-6-12(5-7-14)20(17,18)11-4-2-3-10(9-11)13(15)16/h2-4,9,14H,5-8H2,1H3
InChIKeyJKMZLSVEFMTANM-UHFFFAOYSA-N
MW304.32 g/mol
LogP0.22
Rot. Bonds8

About N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide (PubChem CID 104626174) has the molecular formula C11H16N2O6S and a molecular weight of 304.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
PubChem CID104626174
Molecular FormulaC11H16N2O6S
Molecular Weight304.32 g/mol
Exact Mass304.07
IUPAC NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
SMILESCOCCN(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N2O6S/c1-19-8-6-12(5-7-14)20(17,18)11-4-2-3-10(9-11)13(15)16/h2-4,9,14H,5-8H2,1H3
InChIKeyJKMZLSVEFMTANM-UHFFFAOYSA-N
XLogP0.22
TPSA109.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 50.22
H-Bond Donors ≤ 51
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

N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
CID 90582794
N-chloro-N-(2-hydroxyethyl)-3-nitrobenzenesulfonamide
CID 88612890
methyl 3-[ethyl-(3-nitrophenyl)sulfonylamino]propanoate
CID 61010794
4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 113317285
3-[ethyl-(3-nitrophenyl)sulfonylamino]propanoic acid
CID 61008749
methyl 2-[(3-nitrophenyl)sulfonyl-propylamino]acetate
CID 61072138
3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119389
N-benzyl-N-ethyl-3-nitrobenzenesulfonamide
CID 39847517
4-amino-N-butyl-N-(2-hydroxyethyl)-3-nitrobenzenesulfonamide
CID 61447205
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide
CID 61384378
3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid
CID 61384452
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide
CID 178110665

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide (CID 104626174) is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide is COCCN(CCO)S(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide?
The InChIKey is JKMZLSVEFMTANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6S/c1-19-8-6-12(5-7-14)20(17,18)11-4-2-3-10(9-11)13(15)16/h2-4,9,14H,5-8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide?
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide has a molecular weight of 304.32 g/mol, XLogP of 0.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 104626174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).