1,1,1-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide

C7H8F3NO3S2 — CID 106436210

IUPAC1,1,1-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)C(F)(F)F
InChIInChI=1S/C7H8F3NO3S2/c8-7(9,10)16(13,14)11-3-6(12)5-1-2-15-4-5/h1-2,4,6,11-12H,3H2
InChIKeyKPDICWKOSAXJFD-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.22
Rot. Bonds4

About 1,1,1-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide

1,1,1-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide (PubChem CID 106436210) has the molecular formula C7H8F3NO3S2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide
PubChem CID106436210
Molecular FormulaC7H8F3NO3S2
Molecular Weight275.27 g/mol
Exact Mass274.99
IUPAC Name1,1,1-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)C(F)(F)F
InChIInChI=1S/C7H8F3NO3S2/c8-7(9,10)16(13,14)11-3-6(12)5-1-2-15-4-5/h1-2,4,6,11-12H,3H2
InChIKeyKPDICWKOSAXJFD-UHFFFAOYSA-N
XLogP1.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide (CID 106436210) is 1,1,1-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide is O=S(=O)(NCC(O)c1ccsc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide?
The InChIKey is KPDICWKOSAXJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO3S2/c8-7(9,10)16(13,14)11-3-6(12)5-1-2-15-4-5/h1-2,4,6,11-12H,3H2.
What are the key properties of 1,1,1-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide has a molecular weight of 275.27 g/mol, XLogP of 1.22, 4 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-(2-hydroxy-2-thiophen-3-ylethyl)methanesulfonamide is sourced from PubChem (CID 106436210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).