4-((4-Methylphenyl)sulfonyl)aniline
Basic information
- CAS
4094-38-6- Standard SMILES
Cc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1- InChIKey
NUOSUXKIGQANEH-UHFFFAOYSA-N- Molecular formula
- C13H13NO2S
- Average molar mass
- 247.31 g/mol
- Monoisotopic mass
- 247.06669983
Names & identifiers
- Preferred name
- 4-((4-Methylphenyl)sulfonyl)aniline
- IUPAC
- 4-(4-methylphenyl)sulfonylaniline
- English name
- 4-(p-Tolylsulfonyl)aniline
- Molecular formula
- C13H13NO2S
- Molecular weight
- 247.31
Names & synonyms
4094-38-64-[(4-methylphenyl)sulfonyl]anilinebenzenamine, 4-[(4-methylphenyl)sulfonyl]-DTXSID203270444-((4-Methylphenyl)sulfonyl)anilinebenzenamine, 4-((4-methylphenyl)sulfonyl)-RefChem:286416DTXCID10278157InChI=1/C13H13NO2S/c1-10-2-6-12(7-3-10)17(15,16)13-8-4-11(14)5-9-13/h2-9H,14H2,1H4-Tosylaniline4-(p-Tolylsulfonyl)anilineNSC627710
Show more names
4-[(4-Methylphenyl)sulfonyl]benzenamine
4-(4-methylphenyl)sulfonylaniline2NH2Ph-SO2-4MePhCHEMBL142844SCHEMBL38380224-Aminophenyl 4-methylphenyl sulfoneSBB0779084-(4-Methylbenzene-1-sulfonyl)aniline4-[(4-methylphenyl)sulfonyl]phenylamine
Database identifiers
- CAS
4094-38-6- PubChem CID
- 363136
- DTXSID
DTXSID20327044- ChEMBL
CHEMBL142844- Nikkaji
- J409.577D
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 331
Experimental & physicochemical properties
LogP2.4
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Related reactions
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Compound notes
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