Basic information
- CAS
63421-71-6- Standard SMILES
O=C(O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
YMLUDZUNRJGLJJ-UHFFFAOYSA-N- Molecular formula
- C13H10N2O6S
- Average molar mass
- 322.3 g/mol
- Monoisotopic mass
- 322.02595722
Names & identifiers
- Preferred name
- 4-{[(4-Nitrophenyl)sulfonyl]amino}benzoic acid
- IUPAC
- 4-[(4-nitrophenyl)sulfonylamino]benzoic acid
Names & synonyms
63421-71-64-{[(4-nitrophenyl)sulfonyl]amino}benzoic acidBenzoic acid,4-[[(4-nitrophenyl)sulfonyl]amino]-4-[(4-nitrophenyl)sulfonylamino]benzoic acidNSC68430Oprea1_437572Oprea1_843766SCHEMBL5330654DTXSID40979600NSC-68430STK701609AKOS002162909
Show more names
DA-04153ST451879384-(4-Nitrobenzene-1-sulfonamido)benzoic acid4-[(4-Nitrobenzene-1-sulfonyl)amino]benzoic acidZ45512280
Database identifiers
- CAS
63421-71-6- PubChem CID
- 249752
- DTXSID
DTXSID40979600
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…