Basic information
- Standard SMILES
Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1- InChIKey
LNWHRRWKQCRDMN-UHFFFAOYSA-N- Molecular formula
- C18H22N2O4S
- Average molar mass
- 362.4 g/mol
Names & identifiers
- Preferred name
- [(4-tert-Butyl-benzenesulfonyl)-(6-methyl-pyridin-3-yl)-amino]-acetic acid
- IUPAC
- 2-[(4-tert-butylphenyl)sulfonyl-(6-methyl-3-pyridinyl)amino]acetic acid
Names & synonyms
SCHEMBL1040169LNWHRRWKQCRDMN-UHFFFAOYSA-N[(4-tert-Butyl-benzenesulfonyl)-(6-methyl-pyridin-3-yl)-amino]-acetic acid
Database identifiers
- PubChem CID
- 58978458
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 557
Related reactions
11 records
Compound notes
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