2-propan-2-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide

C8H16F3NO4S — CID 103834001

IUPAC2-propan-2-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO4S/c1-6(2)16-3-4-17(14,15)12-5-7(13)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyLQKWGOMIRYRLRH-UHFFFAOYSA-N
MW279.28 g/mol
LogP0.25
Rot. Bonds7

About 2-propan-2-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide

2-propan-2-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide (PubChem CID 103834001) has the molecular formula C8H16F3NO4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide
PubChem CID103834001
Molecular FormulaC8H16F3NO4S
Molecular Weight279.28 g/mol
Exact Mass279.08
IUPAC Name2-propan-2-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO4S/c1-6(2)16-3-4-17(14,15)12-5-7(13)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyLQKWGOMIRYRLRH-UHFFFAOYSA-N
XLogP0.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxy-1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propane-1-sulfonic acid
CID 155619022
N-(4,4,4-trifluoro-3-hydroxybutyl)butane-1-sulfonamide
CID 72005125
2-hydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
CID 79579376
4,4,4-trifluoro-N-(2-hydroxypropyl)butane-1-sulfonamide
CID 82903697
4,4,4-trifluoro-N-[(2S)-2-hydroxypropyl]butane-1-sulfonamide
CID 83058621
4,4,4-trifluoro-N-(2-hydroxy-3-methoxypropyl)butane-1-sulfonamide
CID 83059095
4,4,4-trifluoro-N-(3-hydroxybutyl)butane-1-sulfonamide
CID 83059410
4,4,4-trifluoro-N-[(2R)-2-hydroxypropyl]butane-1-sulfonamide
CID 83059811
4,4,4-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide
CID 83060126
N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]butane-1-sulfonamide
CID 97567481
N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]butane-1-sulfonamide
CID 97567482
4,4,4-trifluoro-N-(2-methoxypropyl)butane-1-sulfonamide
CID 102697643

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide?
The IUPAC name of 2-propan-2-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide (CID 103834001) is 2-propan-2-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide.
What is the SMILES notation for 2-propan-2-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide?
The canonical SMILES for 2-propan-2-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide is CC(C)OCCS(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-propan-2-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide?
The InChIKey is LQKWGOMIRYRLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO4S/c1-6(2)16-3-4-17(14,15)12-5-7(13)8(9,10)11/h6-7,12-13H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide?
2-propan-2-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide has a molecular weight of 279.28 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)ethanesulfonamide is sourced from PubChem (CID 103834001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).