N-(methoxymethoxy)-2-nitrobenzenesulfonamide

C8H10N2O6S — CID 46848970

IUPACN-(methoxymethoxy)-2-nitrobenzenesulfonamide
SMILESCOCONS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O6S/c1-15-6-16-9-17(13,14)8-5-3-2-4-7(8)10(11)12/h2-5,9H,6H2,1H3
InChIKeyVZICVAVAOAQDNH-UHFFFAOYSA-N
MW262.24 g/mol
LogP0.41
Rot. Bonds6

About N-(methoxymethoxy)-2-nitrobenzenesulfonamide

N-(methoxymethoxy)-2-nitrobenzenesulfonamide (PubChem CID 46848970) has the molecular formula C8H10N2O6S and a molecular weight of 262.24 g/mol. Its IUPAC name is N-(methoxymethoxy)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(methoxymethoxy)-2-nitrobenzenesulfonamide
PubChem CID46848970
Molecular FormulaC8H10N2O6S
Molecular Weight262.24 g/mol
Exact Mass262.03
IUPAC NameN-(methoxymethoxy)-2-nitrobenzenesulfonamide
SMILESCOCONS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O6S/c1-15-6-16-9-17(13,14)8-5-3-2-4-7(8)10(11)12/h2-5,9H,6H2,1H3
InChIKeyVZICVAVAOAQDNH-UHFFFAOYSA-N
XLogP0.41
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-nitrophenyl)sulfonylamino] butanoate
CID 135332624
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243
2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
N-(3-methylpentan-3-yl)-2-nitrobenzenesulfonamide
CID 56805607
N-cyclopentyloxy-2-nitrobenzenesulfonamide
CID 83228764
2-nitro-N-[2-[(2-nitrophenyl)sulfonylamino]propyl]benzenesulfonamide
CID 3749746
1-ethylsulfonyl-2-nitrobenzene
CID 12646354
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 90598879
N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 3322272
N-[2-(2-nitrophenyl)sulfonylethyl]propan-2-amine
CID 64646129
N-(1-chloropropan-2-yl)-2-nitrobenzenesulfonamide
CID 106442047

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethoxy)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(methoxymethoxy)-2-nitrobenzenesulfonamide (CID 46848970) is N-(methoxymethoxy)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(methoxymethoxy)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(methoxymethoxy)-2-nitrobenzenesulfonamide is COCONS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(methoxymethoxy)-2-nitrobenzenesulfonamide?
The InChIKey is VZICVAVAOAQDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O6S/c1-15-6-16-9-17(13,14)8-5-3-2-4-7(8)10(11)12/h2-5,9H,6H2,1H3.
What are the key properties of N-(methoxymethoxy)-2-nitrobenzenesulfonamide?
N-(methoxymethoxy)-2-nitrobenzenesulfonamide has a molecular weight of 262.24 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethoxy)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 46848970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).