5-Methyl-2-sulfamoyl-furan-3-carboxylic acid

HCID 20471898

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(C(=O)O)c(S(N)(=O)=O)o1
InChIKey: RRKNQVUHOYVZOS-UHFFFAOYSA-N
Molecular formula: C6H7NO5S
Average molar mass: 205.19 g/mol
Monoisotopic mass: 205.0044935

Names & identifiers

Preferred name: 5-Methyl-2-sulfamoyl-furan-3-carboxylic acid
IUPAC: 5-methyl-2-sulfamoylfuran-3-carboxylic acid

Names & synonyms

SCHEMBL11055661RRKNQVUHOYVZOS-UHFFFAOYSA-N5-methyl-2-sulfamoyl-furan-3-carboxylic acid

Database identifiers

PubChem CID: 20471898

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 119 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 305

Related reactions

7 records

New reaction record

HRID 224669 reaction equation

HRID 224669As reactantuspto-grants-1980_11

HRID 224671 reaction equation

HRID 224671As reactantuspto-grants-1980_11

HRID 292251 reaction equation

HRID 292251As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1388188 reaction equation

HRID 1388188As productuspto-grants-1984_02

HRID 1388190 reaction equation

HRID 1388190As reactantuspto-grants-1984_02

HRID 1388192 reaction equation

HRID 1388192As reactantuspto-grants-1984_02

HRID 2161261 reaction equation

HRID 2161261As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Linked notes

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