Basic information
- Standard SMILES
COC(=O)C1CCC(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1- InChIKey
ROYOEJRJVGLSTD-UHFFFAOYSA-N- Molecular formula
- C15H20N2O6S
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.10420754
Names & identifiers
- Preferred name
- Methyl trans-4-(3-nitro-4-methyl-phenylsulfonamido)cyclohexane-carboxylate
- IUPAC
- methyl 4-[(4-methyl-3-nitrophenyl)sulfonylamino]cyclohexane-1-carboxylate
Names & synonyms
SCHEMBL1952064SCHEMBL1952068ROYOEJRJVGLSTD-HAQNSBGRSA-Nmethyl trans-4-(3-nitro-4-methyl-phenylsulfonamido)cyclohexane-carboxylate
Database identifiers
- PubChem CID
- 58292012
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 559
Related reactions
1 records
Compound notes
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