(4S)-4-[4-(trifluoromethyl)phenyl]oxathiazolidine 2,2-dioxide

C9H8F3NO3S — CID 164511100

IUPAC(4S)-4-[4-(trifluoromethyl)phenyl]oxathiazolidine 2,2-dioxide
SMILESO=S1(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C9H8F3NO3S/c10-9(11,12)7-3-1-6(2-4-7)8-5-16-17(14,15)13-8/h1-4,8,13H,5H2/t8-/m1/s1
InChIKeyKKCCGUFQKXYMJF-MRVPVSSYSA-N
MW267.23 g/mol
LogP1.61
Rot. Bonds1

About (4S)-4-[4-(trifluoromethyl)phenyl]oxathiazolidine 2,2-dioxide

(4S)-4-[4-(trifluoromethyl)phenyl]oxathiazolidine 2,2-dioxide (PubChem CID 164511100) has the molecular formula C9H8F3NO3S and a molecular weight of 267.23 g/mol. Its IUPAC name is (4S)-4-[4-(trifluoromethyl)phenyl]oxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name(4S)-4-[4-(trifluoromethyl)phenyl]oxathiazolidine 2,2-dioxide
PubChem CID164511100
Molecular FormulaC9H8F3NO3S
Molecular Weight267.23 g/mol
Exact Mass267.02
IUPAC Name(4S)-4-[4-(trifluoromethyl)phenyl]oxathiazolidine 2,2-dioxide
SMILESO=S1(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C9H8F3NO3S/c10-9(11,12)7-3-1-6(2-4-7)8-5-16-17(14,15)13-8/h1-4,8,13H,5H2/t8-/m1/s1
InChIKeyKKCCGUFQKXYMJF-MRVPVSSYSA-N
XLogP1.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(trifluoromethyl)phenyl]oxathiazolidine 2,2-dioxide?
The IUPAC name of (4S)-4-[4-(trifluoromethyl)phenyl]oxathiazolidine 2,2-dioxide (CID 164511100) is (4S)-4-[4-(trifluoromethyl)phenyl]oxathiazolidine 2,2-dioxide.
What is the SMILES notation for (4S)-4-[4-(trifluoromethyl)phenyl]oxathiazolidine 2,2-dioxide?
The canonical SMILES for (4S)-4-[4-(trifluoromethyl)phenyl]oxathiazolidine 2,2-dioxide is O=S1(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)CO1.
What is the InChIKey of (4S)-4-[4-(trifluoromethyl)phenyl]oxathiazolidine 2,2-dioxide?
The InChIKey is KKCCGUFQKXYMJF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H8F3NO3S/c10-9(11,12)7-3-1-6(2-4-7)8-5-16-17(14,15)13-8/h1-4,8,13H,5H2/t8-/m1/s1.
What are the key properties of (4S)-4-[4-(trifluoromethyl)phenyl]oxathiazolidine 2,2-dioxide?
(4S)-4-[4-(trifluoromethyl)phenyl]oxathiazolidine 2,2-dioxide has a molecular weight of 267.23 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(trifluoromethyl)phenyl]oxathiazolidine 2,2-dioxide is sourced from PubChem (CID 164511100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).