4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid
Basic information
- CAS
110046-39-4- Standard SMILES
O=C(O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)cc1- InChIKey
LNVKAVDVFIOEEV-UHFFFAOYSA-N- Molecular formula
- C14H11ClO4S
- Average molar mass
- 310.8 g/mol
- Monoisotopic mass
- 310.0066577
Names & identifiers
- Preferred name
- 4-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acid
- IUPAC
- 4-[(4-chlorophenyl)sulfonylmethyl]benzoic acid
Names & synonyms
110046-39-44-[(4-chlorophenyl)sulfonylmethyl]benzoic acidNSC6351984-(((4-Chlorophenyl)sulfonyl)methyl)benzoic acidBenzoic acid, 4-(((4-chlorophenyl)sulfonyl)methyl)-4-[[(4-Chlorophenyl)sulfonyl]methyl]benzoic acidDTXSID60911466AKOS005200598NSC-6351984-[(4-Chlorobenzene-1-sulfonyl)methyl]benzoic acid
Database identifiers
- CAS
110046-39-4- PubChem CID
- 366572
- DTXSID
DTXSID60911466
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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