3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide

C7H13F3N2O3S — CID 114809616

IUPAC3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide
SMILESCCC1(O)CN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O3S/c1-2-6(13)4-12(5-6)16(14,15)11-3-7(8,9)10/h11,13H,2-5H2,1H3
InChIKeyMLZDBZYPYOPVME-UHFFFAOYSA-N
MW262.25 g/mol
LogP-0.16
Rot. Bonds4

About 3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide

3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide (PubChem CID 114809616) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is 3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide.

Molecular Properties

Compound Name3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide
PubChem CID114809616
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC Name3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide
SMILESCCC1(O)CN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O3S/c1-2-6(13)4-12(5-6)16(14,15)11-3-7(8,9)10/h11,13H,2-5H2,1H3
InChIKeyMLZDBZYPYOPVME-UHFFFAOYSA-N
XLogP-0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide?
The IUPAC name of 3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide (CID 114809616) is 3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide.
What is the SMILES notation for 3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide?
The canonical SMILES for 3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide is CCC1(O)CN(S(=O)(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide?
The InChIKey is MLZDBZYPYOPVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c1-2-6(13)4-12(5-6)16(14,15)11-3-7(8,9)10/h11,13H,2-5H2,1H3.
What are the key properties of 3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide?
3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide has a molecular weight of 262.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-sulfonamide is sourced from PubChem (CID 114809616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).