(4S,6R)-4-phenyl-6-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide

C16H14F3NO3S — CID 24761694

IUPAC(4S,6R)-4-phenyl-6-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide
SMILESO=S1(=O)N[C@H](c2ccccc2)C[C@H](c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C16H14F3NO3S/c17-16(18,19)13-8-6-12(7-9-13)15-10-14(20-24(21,22)23-15)11-4-2-1-3-5-11/h1-9,14-15,20H,10H2/t14-,15+/m0/s1
InChIKeyXTWXAAQMSZKKJL-LSDHHAIUSA-N
MW357.35 g/mol
LogP3.74
Rot. Bonds2

About (4S,6R)-4-phenyl-6-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide

(4S,6R)-4-phenyl-6-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide (PubChem CID 24761694) has the molecular formula C16H14F3NO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is (4S,6R)-4-phenyl-6-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide.

Molecular Properties

Compound Name(4S,6R)-4-phenyl-6-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide
PubChem CID24761694
Molecular FormulaC16H14F3NO3S
Molecular Weight357.35 g/mol
Exact Mass357.06
IUPAC Name(4S,6R)-4-phenyl-6-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide
SMILESO=S1(=O)N[C@H](c2ccccc2)C[C@H](c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C16H14F3NO3S/c17-16(18,19)13-8-6-12(7-9-13)15-10-14(20-24(21,22)23-15)11-4-2-1-3-5-11/h1-9,14-15,20H,10H2/t14-,15+/m0/s1
InChIKeyXTWXAAQMSZKKJL-LSDHHAIUSA-N
XLogP3.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4-phenyl-6-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide?
The IUPAC name of (4S,6R)-4-phenyl-6-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide (CID 24761694) is (4S,6R)-4-phenyl-6-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide.
What is the SMILES notation for (4S,6R)-4-phenyl-6-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide?
The canonical SMILES for (4S,6R)-4-phenyl-6-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide is O=S1(=O)N[C@H](c2ccccc2)C[C@H](c2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of (4S,6R)-4-phenyl-6-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide?
The InChIKey is XTWXAAQMSZKKJL-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c17-16(18,19)13-8-6-12(7-9-13)15-10-14(20-24(21,22)23-15)11-4-2-1-3-5-11/h1-9,14-15,20H,10H2/t14-,15+/m0/s1.
What are the key properties of (4S,6R)-4-phenyl-6-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide?
(4S,6R)-4-phenyl-6-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide has a molecular weight of 357.35 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-phenyl-6-[4-(trifluoromethyl)phenyl]oxathiazinane 2,2-dioxide is sourced from PubChem (CID 24761694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).