4-Dimethylamino-3-methanesulfonyl-benzoic acid methyl ester

HCID 66909124
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Basic information

Standard SMILES
COC(=O)c1ccc(N(C)C)c(S(C)(=O)=O)c1
InChIKey
OYMFKCBASIXODY-UHFFFAOYSA-N
Molecular formula
C11H15NO4S
Average molar mass
257.31 g/mol

Names & identifiers

Preferred name
4-Dimethylamino-3-methanesulfonyl-benzoic acid methyl ester
IUPAC
methyl 4-(dimethylamino)-3-methylsulfonylbenzoate

Names & synonyms

4-Dimethylamino-3-methanesulfonyl-benzoic acid methyl esterSCHEMBL1110817OYMFKCBASIXODY-UHFFFAOYSA-N

Database identifiers

PubChem CID
66909124

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
72.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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