4-((4-Chlorophenyl)sulfonyl)aniline
Basic information
- CAS
7146-68-1- Standard SMILES
Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1- InChIKey
RWIUBJDOESNTFZ-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO2S
- Average molar mass
- 267.73 g/mol
- Monoisotopic mass
- 267.0120774
Names & identifiers
- Preferred name
- 4-((4-Chlorophenyl)sulfonyl)aniline
- IUPAC
- 4-(4-chlorophenyl)sulfonylaniline
- English name
- 4-(4-chlorophenyl)sulfonylaniline
- Molecular formula
- C12H10ClNO2S
- Molecular weight
- 267.73
Names & synonyms
4-((4-Chlorophenyl)sulfonyl)aniline7146-68-14-(4-chlorophenyl)sulfonylaniline4-Amino-4'-chlorodiphenyl SulfoneMFCD00025350p-(p-Chlorophenylsulfonyl)aniline4-(4-chlorobenzenesulfonyl)aniline4-[(4-chlorophenyl)sulfonyl]anilineBenzenamine, 4-[(4-chlorophenyl)sulfonyl]-4-[(4-chlorophenyl)sulfonyl]phenylamineDapsone EP Impurity E4-[(4-Chlorophenyl)sulfonyl]benzenamine
Show more names
Dapsone Impurity 2Dapsone Impurity 54-Amino-4''-Chlorodiphenyl Sulphonep-[(p-Chlorophenyl)sulfonyl]anilineDapsone Aniline Chlorophenyl Impurity
4-Amino-4-chlorodiphenyl SulfoneNSC51990p-Aminophenyl p-Chlorophenyl Sulfone4-Aminophenyl 4-chlorophenyl SulfoneNSC 23812NSC 519904-(4-Chlorobenzenesulfonyl)phenylamine4-(4-Chloro-benzenesulfonyl)phenylamine
Database identifiers
- CAS
7146-68-1- PubChem CID
- 229818
- DTXSID
DTXSID80282009- ChEMBL
CHEMBL140629- UNII
- Z34TYY5VFA
- Nikkaji
- J409.581B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
LogP2.57
Physicochemical properties
- Melting point
- 184 · 184-185 °C
- Boiling point
- 466.4 · 466.4±30.0 °C(Predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 0.84 · 0.84±0.10(Predicted)
- color
- Off-White to Light Yellow
- Major Application
- pharmaceutical small molecule
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Amino-4'-chlorodiphenyl sulfone is a substituted 4-aminodiphenylsulfone as Escherichia coli dihydropteroate synthase inhibitor.
Upstream & downstream products
Upstream raw materials
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