3-chloro-4-(N-(4-chlorobenzenesulphonyl)-N-methylaminomethyl)thiophene-2-carboxylic acid

HCID 69207407

Notes Reactions

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Basic information

Standard SMILES: CN(Cc1csc(C(=O)O)c1Cl)S(=O)(=O)c1ccc(Cl)cc1
InChIKey: AUDBLNAGEWALPN-UHFFFAOYSA-N
Molecular formula: C13H11Cl2NO4S2
Average molar mass: 380.3 g/mol

Names & identifiers

Preferred name: 3-chloro-4-(N-(4-chlorobenzenesulphonyl)-N-methylaminomethyl)thiophene-2-carboxylic acid
IUPAC: 3-chloro-4-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]thiophene-2-carboxylic acid

Names & synonyms

SCHEMBL4830443AUDBLNAGEWALPN-UHFFFAOYSA-N3-chloro-4-(N-(4-chlorobenzenesulphonyl)-N-methylaminomethyl)-thiophene-2-carboxylic acid3-chloro-4-(N-(4-chlorobenzenesulphonyl)-N-methylaminomethyl)thiophene-2-carboxylic acid

Database identifiers

PubChem CID: 69207407

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 111 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 503

Related reactions

4 records

New reaction record

HRID 190117As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 301702As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 901955As productuspto-grants-2008_04

HRID 901956As reactantuspto-grants-2008_04

Compound notes

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