A1CUB

4-acetylbenzene-1-sulfonamide

Created:	2025-09-18
Last modified:	2026-02-18

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1 entries where A1CUB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of A1CUB

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Chemical Component Summary
Name	4-acetylbenzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	4-ethanoylbenzenesulfonamide
Formula	C₈ H₉ N O₃ S
Molecular Weight	199.227
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=S(N)(=O)c1ccc(cc1)C(C)=O
SMILES	CACTVS	3.385	CC(=O)c1ccc(cc1)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	3.1.0.0	CC(=O)c1ccc(cc1)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	CC(=O)c1ccc(cc1)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CC(=O)c1ccc(cc1)S(=O)(=O)N
InChI	InChI	1.06	InChI=1S/C8H9NO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-5H,1H3,(H2,9,11,12)
InChIKey	InChI	1.06	CSATVXJBGFVJES-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.