4-[(Methoxymethoxy)methyl]-2-nitro-3-thiophenesulfonamide (HCID 67064052)

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Basic information

Standard SMILES: COCOCc1csc([N+](=O)[O-])c1S(N)(=O)=O
InChIKey: BJYQPFRCPUIAHI-UHFFFAOYSA-N
Molecular formula: C7H10N2O6S2
Average molar mass: 282.3 g/mol
Monoisotopic mass: 281.99802839

Names & identifiers

Preferred name: 4-[(Methoxymethoxy)methyl]-2-nitro-3-thiophenesulfonamide
IUPAC: 4-(methoxymethoxymethyl)-2-nitrothiophene-3-sulfonamide

Names & synonyms

SCHEMBL1523284BJYQPFRCPUIAHI-UHFFFAOYSA-N4-[(methoxymethoxy)methyl]-2-nitro-3-thiophenesulfonamide4-[(methoxymethoxy)methyl]-2-nitrothiophene-3-sulfonamide

Database identifiers

PubChem CID: 67064052

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 161 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 362

Related reactions

6 records

New reaction record

HRID 494470As reactantuspto-grants-2009_05

HRID 552100As reactantuspto-grants-2011_05

HRID 601294As reactantuspto-grants-2011_03

HRID 1234819As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1444668As reactantuspto-grants-2010_02

HRID 2224791As reactantuspto-grants-2008_05

Compound notes

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