(2-{5-[ethyl(phenyl)sulfamoyl]pyridin-2-yl}-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid
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Basic information
- Standard SMILES
CCN(c1ccccc1)S(=O)(=O)c1ccc(-n2[nH]cc(CC(=O)O)c2=O)nc1- InChIKey
ACOWDFGPPZPERV-UHFFFAOYSA-N- Molecular formula
- C18H18N4O5S
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.09979086
Names & identifiers
- Preferred name
- (2-{5-[ethyl(phenyl)sulfamoyl]pyridin-2-yl}-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid
- IUPAC
- 2-[2-[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-3-oxo-1H-pyrazol-4-yl]acetic acid
Names & synonyms
SCHEMBL3718108ACOWDFGPPZPERV-UHFFFAOYSA-N(2-{5-[ethyl(phenyl)sulfamoyl]pyridin-2-yl}-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid
Database identifiers
- PubChem CID
- 68758596
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 727
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Related reactions
1 records
Compound notes
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