2-(Pyridin-2-ylcarbamoyl)benzenesulfonic acid
Basic information
- CAS
86934-28-3- Standard SMILES
O=C(Nc1ccccn1)c1ccccc1S(=O)(=O)O- InChIKey
QMHRFTZUQZQDGD-UHFFFAOYSA-N- Molecular formula
- C12H10N2O4S
- Average molar mass
- 278.29 g/mol
- Monoisotopic mass
- 278.03612798
Names & identifiers
- Preferred name
- 2-(Pyridin-2-ylcarbamoyl)benzenesulfonic acid
- IUPAC
- 2-(pyridin-2-ylcarbamoyl)benzenesulfonic acid
Names & synonyms
86934-28-32-(pyridin-2-ylcarbamoyl)benzenesulfonic acidNSC353126DTXSID40319981NSC-3531262-[(Pyridin-2-yl)carbamoyl]benzene-1-sulfonic acid
Database identifiers
- CAS
86934-28-3- PubChem CID
- 336930
- DTXSID
DTXSID40319981
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 418
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Related reactions
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Compound notes
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