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3-phenyl-2-[3-(trifluoromethyl)benzenesulfonamido]propanoic acid

3-phenyl-2-[3-(trifluoromethyl)benzenesulfonamido]propanoic acid

CAS: 250714-63-7

Formula: C16H14F3NO4S

SMILES: OC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC(=CC=C1)C(F)(F)F

IUPAC: 3-phenyl-2-[3-(trifluoromethyl)benzenesulfonamido]propanoic acid

InChI: InChI=1/C16H14F3NO4S/c17-16(18,19)12-7-4-8-13(10-12)25(23,24)20-14(15(21)22)9-11-5-2-1-3-6-11/h1-8,10,14,20H,9H2,(H,21,22)

Composition: C (51.47%), H (3.78%), F (15.27%), N (3.75%), O (17.14%), S (8.59%)

Molar Mass: 373.35

Atom Count: 39

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 373.059563598
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey JFDJLMGVJXHLOF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.28
Topological Polar Surface Area 83.47
Polarizability 32.47
Ring Count 2
Rotatable Bond Count 6

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