Basic information
- CAS
14257-87-5- Standard SMILES
O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)Oc1ccc([N+](=O)[O-])cc1- InChIKey
JHMUITDUCSMEQY-UHFFFAOYSA-N- Molecular formula
- C19H14N2O6S
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.05725734
Names & identifiers
- Preferred name
- Carbanilic acid, p-(phenylsulfonyl)-, p-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) N-[4-(benzenesulfonyl)phenyl]carbamate
Names & synonyms
BRN 3015867CARBANILIC ACID, p-(PHENYLSULFONYL)-, p-NITROPHENYL ESTERp-(Phenylsulfonyl)carbanilic acid p-nitrophenyl ester14257-87-5DTXSID40162090RefChem:333158DTXCID80845814-Nitrophenyl [4-(benzenesulfonyl)phenyl]carbamate
Database identifiers
- CAS
14257-87-5- PubChem CID
- 26599
- DTXSID
DTXSID40162090
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…