4-Nitrobenzenesulfonyl chloride (C6H4ClNO4S)

4-Nitrobenzenesulfonyl chloride presents a C6 framework, aromatic rings, a nitro group (formula C6H4ClNO4S, CAS 98-74-8). ChemicalTool Reaction can propose ranked disconnections for 4-Nitrobenzenesulfonyl chloride from the SMILES O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1.

Target: 4-Nitrobenzenesulfonyl chloride
CAS: 98-74-8
Formula: C6H4ClNO4S
Approx. MW: 221.61
SMILES: O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1
PubChem CID: 7404
Approx. carbons: C6

4-Nitrobenzenesulfonyl chloride structure

Properties

Molecular weight: 221.61

View on PubChem

4-Nitrobenzenesulfonyl chloride 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Nitrobenzenesulfonyl chloride?

4-Nitrobenzenesulfonyl chloride has molecular formula C6H4ClNO4S. Molecular weight about 221.61 g·mol⁻¹.

What is the CAS number of 4-Nitrobenzenesulfonyl chloride?

The CAS Registry Number for 4-Nitrobenzenesulfonyl chloride is 98-74-8.

Run AI retrosynthesis for 4-Nitrobenzenesulfonyl chloride Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H4ClNO4S.

Related targets

Similar compounds

3-Nitrobenzenesulfonyl chloride 1-Bromo-2-nitrobenzene 1-Bromo-3-nitrobenzene 1-Bromo-4-nitrobenzene 1-Chloro-3-nitrobenzene 1-Iodo-3-nitrobenzene

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.