2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C7H12F3NO4S — CID 103723214

IUPAC2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC(C(=O)NCC(O)C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C7H12F3NO4S/c1-4(16(2,14)15)6(13)11-3-5(12)7(8,9)10/h4-5,12H,3H2,1-2H3,(H,11,13)
InChIKeyWEURYHQLQKEYFZ-UHFFFAOYSA-N
MW263.24 g/mol
LogP-0.54
Rot. Bonds4

About 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 103723214) has the molecular formula C7H12F3NO4S and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID103723214
Molecular FormulaC7H12F3NO4S
Molecular Weight263.24 g/mol
Exact Mass263.04
IUPAC Name2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC(C(=O)NCC(O)C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C7H12F3NO4S/c1-4(16(2,14)15)6(13)11-3-5(12)7(8,9)10/h4-5,12H,3H2,1-2H3,(H,11,13)
InChIKeyWEURYHQLQKEYFZ-UHFFFAOYSA-N
XLogP-0.54
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 103723214) is 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is CC(C(=O)NCC(O)C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is WEURYHQLQKEYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4S/c1-4(16(2,14)15)6(13)11-3-5(12)7(8,9)10/h4-5,12H,3H2,1-2H3,(H,11,13).
What are the key properties of 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 263.24 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103723214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).