3-[2-({[4-methoxy-3-(1H-tetrazol-1-yl)phenyl]sulfonyl}amino)ethoxy]benzoic acid
Basic information
- CAS
893784-50-4- Standard SMILES
COc1ccc(S(=O)(=O)NCCOc2cccc(C(=O)O)c2)cc1-n1cnnn1- InChIKey
BCCOGYFZOBRRKX-UHFFFAOYSA-N- Molecular formula
- C17H17N5O6S
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.08995445
Names & identifiers
- Preferred name
- 3-[2-({[4-methoxy-3-(1H-tetrazol-1-yl)phenyl]sulfonyl}amino)ethoxy]benzoic acid
- IUPAC
- 3-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid
Names & synonyms
893784-50-43-[2-({[4-methoxy-3-(1H-tetrazol-1-yl)phenyl]sulfonyl}amino)ethoxy]benzoic acid3-[2-[[[4-Methoxy-3-(1H-tetrazol-1-yl)phenyl]sulfonyl]amino]ethoxy]benzoic acid3-(2-{[4-Methoxy-3-(1H-tetrazol-1-yl)benzene-1-sulfonyl]amino}ethoxy)benzoic acidDTXSID601135719STK666401AKOS0033995493-[2-[[4-methoxy-3-(tetrazol-1-yl)phenyl]sulfonylamino]ethoxy]benzoic acid
Database identifiers
- CAS
893784-50-4- PubChem CID
- 16762018
- DTXSID
DTXSID601135719
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 645
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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