4-(3-t-Butylsulfamoylphenyl)-2-nitrobenzoic acid
Basic information
- CAS
1261916-92-0- Standard SMILES
CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc(C(=O)O)c([N+](=O)[O-])c2)c1- InChIKey
SKTSVTXGYAAPKV-UHFFFAOYSA-N- Molecular formula
- C17H18N2O6S
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.08855747
Names & identifiers
- Preferred name
- 4-(3-t-Butylsulfamoylphenyl)-2-nitrobenzoic acid
- IUPAC
- 4-[3-(tert-butylsulfamoyl)phenyl]-2-nitrobenzoic acid
Names & synonyms
1261916-92-0MFCD18323195DTXSID5011301164-(3-t-Butylsulfamoylphenyl)-2-nitrobenzoic acid, 95%4-[3-(tert-butylsulfamoyl)phenyl]-2-nitro-benzoic acid4-[3-(tert-butylsulfamoyl)phenyl]-2-nitrobenzoic acid3'-(tert-Butylsulfamoyl)-3-nitro[1,1'-biphenyl]-4-carboxylic acid[1,1a(2)-Biphenyl]-4-carboxylic acid, 3a(2)-[[(1,1-dimethylethyl)amino]sulfonyl]-3-nitro-
Database identifiers
- CAS
1261916-92-0- PubChem CID
- 53229016
- DTXSID
DTXSID501130116
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 631
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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