4-(4-Methoxyphenyl)sulfonylaniline
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Basic information
- CAS
17078-72-7- Standard SMILES
COc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1- InChIKey
YYLYFXLKPZKSKS-UHFFFAOYSA-N- Molecular formula
- C13H13NO3S
- Average molar mass
- 263.31 g/mol
- Monoisotopic mass
- 263.06161428
Names & identifiers
- Preferred name
- 4-(4-Methoxyphenyl)sulfonylaniline
- IUPAC
- 4-(4-methoxyphenyl)sulfonylaniline
Names & synonyms
4-(4-methoxyphenyl)sulfonylanilineCHEMBL143754SCHEMBL10923791DTXSID70877165YYLYFXLKPZKSKS-UHFFFAOYSA-N4-((4-methoxyphenyl)sulfonyl)aniline4-(4-Methoxybenzene-1-sulfonyl)aniline17078-72-74-(4-Methoxy-benzenesulfonyl)-phenylamineBenzenamine, 4-[(4-methoxyphenyl)sulfonyl]-
Database identifiers
- CAS
17078-72-7- PubChem CID
- 516667
- DTXSID
DTXSID70877165- ChEMBL
CHEMBL143754- Nikkaji
- J409.586C
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
Experimental & physicochemical properties
LogP1.96
Related reactions
2 records
Compound notes
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