3-(4-Benzenesulfonyl-Thiophene-2-Sulfonylamino)-Phenylboronic Acid

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Properties Simple | Detailed

Formula C16H14BNO6S3
IUPAC Name [3-[[4-(benzenesulfonyl)-2-thienyl]sulfonylamino]phenyl]boronic acid
Molecular Mass 423.291 g·mol−1
Heat of Formation -948.2 ± 16.7 kJ·mol−1
Dipole Moment 8.84 ± 1.08 D
Volume 443.73 Å 3
Surface Area 383.66 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
Synonyms
  • [3-[(4-phenylsulfonyl-2-thienyl)sulfonylamino]phenyl]boronic acid
  • [3-[(4-phenylsulfonylthiophen-2-yl)sulfonylamino]phenyl]boronic acid
InChIKey YZOKHYPIQNIFRQ-UHFFFAOYSA-N
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