3-(4-Tert-butylbenzamido)benzenesulfonic acid

HCID 58988109
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)O)c2)cc1
InChIKey
JSJGMPMEASQDTA-UHFFFAOYSA-N
Molecular formula
C17H19NO4S
Average molar mass
333.4 g/mol
Monoisotopic mass
333.10347926

Names & identifiers

Preferred name
3-(4-Tert-butylbenzamido)benzenesulfonic acid
IUPAC
3-[(4-tert-butylbenzoyl)amino]benzenesulfonic acid

Names & synonyms

SCHEMBL4661858JSJGMPMEASQDTA-UHFFFAOYSA-N3-(4-tertbutylbenzamido)benzenesulfonic acid3-(4-tert-butylbenzamido)benzenesulfonic acid

Database identifiers

PubChem CID
58988109

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
91.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
23

Related reactions

2 records
New reaction record

Linked notes

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