Basic information
- Standard SMILES
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
PGNXXIOBJLPXFL-UHFFFAOYSA-N- Molecular formula
- C13H12N2O5S
- Average molar mass
- 308.31 g/mol
Names & identifiers
- Preferred name
- N-(4-methoxyphenyl)-4-nitrobenzenesulfonamide
- IUPAC
- N-(4-methoxyphenyl)-4-nitrobenzenesulfonamide
Names & synonyms
N-(4-methoxyphenyl)-4-nitrobenzenesulfonamide10553-17-0MFCD00577512N-(4-Methoxy-phenyl)-4-nitro-benzenesulfonamideOprea1_789991CBDivE_014293SCHEMBL410787CHEMBL228124N-(4-METHOXYPHENYL)-4-NITROBENZENE-1-SULFONAMIDEPGNXXIOBJLPXFL-UHFFFAOYSA-NSTK021743AKOS000668690
Show more names
BS-44650ST50222416F76377N-(4-methoxyphenyl)-4-nitro-benzenesulfonamide(4-methoxyphenyl)[(4-nitrophenyl)sulfonyl]amineF867400SR-01000477838SR-01000477838-1
Database identifiers
- PubChem CID
- 750280
- ChEMBL
CHEMBL228124- Nikkaji
- J2.329.587C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 440
Related reactions
310 records
Compound notes
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