4-[(2-Amino-benzenesulfonylamino)-methyl]-benzoic acid tert-butyl ester

HCID 20755366
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Basic information

Standard SMILES
CC(C)(C)OC(=O)c1ccc(CNS(=O)(=O)c2ccccc2N)cc1
InChIKey
HMOHZHDZCCBOFX-UHFFFAOYSA-N
Molecular formula
C18H22N2O4S
Average molar mass
362.4 g/mol

Names & identifiers

Preferred name
4-[(2-Amino-benzenesulfonylamino)-methyl]-benzoic acid tert-butyl ester
IUPAC
tert-butyl 4-[[(2-aminophenyl)sulfonylamino]methyl]benzoate

Names & synonyms

SCHEMBL6477608HMOHZHDZCCBOFX-UHFFFAOYSA-N4-[(2-Amino-benzenesulfonylamino)-methyl]-benzoic acid tert-butyl ester

Database identifiers

PubChem CID
20755366

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
107 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
25

Related reactions

3 records
New reaction record

Compound notes

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