2-Chloro-5-{[(3R,5S)-3,5-Dimethyl-1-Piperidinyl]Sulfonyl}Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C14H18ClNO4S
IUPAC Name 2-chloro-5-[[(3s,5r)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoic acid
Molecular Mass 331.815 g·mol−1
Heat of Formation -713.9 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 367.41 Å 3
Surface Area 317.83 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-5-((cis-3,5-dimethylpiperidino)sulfonyl)benzoic acid
  • 2-chloro-5-(3,5-dimethylpiperidinosulphonyl)benzoic acid
  • 2-chloro-5-[(3s,5r)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzoic acid
  • 2-chloro-5-[(3s,5r)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoic acid
  • 2-chloro-5-[[(3s,5r)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzoic acid
  • 2-chloro-5-[[(3s,5r)-3,5-dimethyl-1-piperidyl]sulfonyl]benzoic acid
  • 2-chloro-5-{[(3r,5s)-3,5-dimethylpiperidin-1-yl]sulfonyl}benzoic acid
  • benzoic acid, 2-chloro-5-((3,5-dimethyl-1-piperidinyl)sulfonyl)-, (cis)-
  • benzoic acid, 2-chloro-5-(3,5-dimethylpiperidinosulfonyl)-
  • d06133
  • tibric acid
  • tibric acid (nonstereospecific)
  • tibric acid (usan)
CAS Number(s)
  • 24358-29-0
  • 37087-94-8
InChIKey IFXSWTIWFGIXQO-AOOOYVTPSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S