1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide

C5H8F3NO4S — CID 130696836

IUPAC1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
SMILESO=S(=O)(N[C@@H]1COC[C@H]1O)C(F)(F)F
InChIInChI=1S/C5H8F3NO4S/c6-5(7,8)14(11,12)9-3-1-13-2-4(3)10/h3-4,9-10H,1-2H2/t3-,4-/m1/s1
InChIKeyJOQLAVRFSTXYMO-QWWZWVQMSA-N
MW235.18 g/mol
LogP-0.81
Rot. Bonds2

About 1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide

1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide (PubChem CID 130696836) has the molecular formula C5H8F3NO4S and a molecular weight of 235.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
PubChem CID130696836
Molecular FormulaC5H8F3NO4S
Molecular Weight235.18 g/mol
Exact Mass235.01
IUPAC Name1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
SMILESO=S(=O)(N[C@@H]1COC[C@H]1O)C(F)(F)F
InChIInChI=1S/C5H8F3NO4S/c6-5(7,8)14(11,12)9-3-1-13-2-4(3)10/h3-4,9-10H,1-2H2/t3-,4-/m1/s1
InChIKeyJOQLAVRFSTXYMO-QWWZWVQMSA-N
XLogP-0.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-difluoro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide
CID 130831677
N-(4-hydroxytetrahydrofuran-3-yl)propane-2-sulfonamide
CID 67196244
N-[(3S,4R)-4-hydroxyoxolan-3-yl]propane-2-sulfonamide
CID 67196245
trans-N-(4-hydroxytetrahydrofuran-3-yl)propane-2-sulfonamide
CID 67196247
3-Hydroxy-4-(sulfamoylamino)oxolane
CID 126994992
1-bromo-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
CID 130623589
N-(4-hydroxyoxolan-3-yl)ethanesulfonamide
CID 130686140
N-(4-hydroxyoxolan-3-yl)methanesulfonamide
CID 130719110
N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide
CID 130751513
1-chloro-N-(4-hydroxyoxolan-3-yl)methanesulfonamide
CID 130751521

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide (CID 130696836) is 1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide is O=S(=O)(N[C@@H]1COC[C@H]1O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide?
The InChIKey is JOQLAVRFSTXYMO-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H8F3NO4S/c6-5(7,8)14(11,12)9-3-1-13-2-4(3)10/h3-4,9-10H,1-2H2/t3-,4-/m1/s1.
What are the key properties of 1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide?
1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide has a molecular weight of 235.18 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(3R,4S)-4-hydroxyoxolan-3-yl]methanesulfonamide is sourced from PubChem (CID 130696836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).