3,3,3-trifluoro-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]propane-1-sulfonamide

C14H20F3NO3S — CID 100675237

IUPAC3,3,3-trifluoro-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]propane-1-sulfonamide
SMILESC[C@H](O)C[C@H](CNS(=O)(=O)CCC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H20F3NO3S/c1-11(19)9-13(12-5-3-2-4-6-12)10-18-22(20,21)8-7-14(15,16)17/h2-6,11,13,18-19H,7-10H2,1H3/t11-,13+/m0/s1
InChIKeyQQUPPLITECMHSJ-WCQYABFASA-N
MW339.38 g/mol
LogP2.41
Rot. Bonds8

About 3,3,3-trifluoro-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]propane-1-sulfonamide

3,3,3-trifluoro-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]propane-1-sulfonamide (PubChem CID 100675237) has the molecular formula C14H20F3NO3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]propane-1-sulfonamide
PubChem CID100675237
Molecular FormulaC14H20F3NO3S
Molecular Weight339.38 g/mol
Exact Mass339.11
IUPAC Name3,3,3-trifluoro-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]propane-1-sulfonamide
SMILESC[C@H](O)C[C@H](CNS(=O)(=O)CCC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H20F3NO3S/c1-11(19)9-13(12-5-3-2-4-6-12)10-18-22(20,21)8-7-14(15,16)17/h2-6,11,13,18-19H,7-10H2,1H3/t11-,13+/m0/s1
InChIKeyQQUPPLITECMHSJ-WCQYABFASA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]propane-1-sulfonamide (CID 100675237) is 3,3,3-trifluoro-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]propane-1-sulfonamide is C[C@H](O)C[C@H](CNS(=O)(=O)CCC(F)(F)F)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]propane-1-sulfonamide?
The InChIKey is QQUPPLITECMHSJ-WCQYABFASA-N. The full InChI is InChI=1S/C14H20F3NO3S/c1-11(19)9-13(12-5-3-2-4-6-12)10-18-22(20,21)8-7-14(15,16)17/h2-6,11,13,18-19H,7-10H2,1H3/t11-,13+/m0/s1.
What are the key properties of 3,3,3-trifluoro-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]propane-1-sulfonamide?
3,3,3-trifluoro-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]propane-1-sulfonamide has a molecular weight of 339.38 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(2S,4S)-4-hydroxy-2-phenylpentyl]propane-1-sulfonamide is sourced from PubChem (CID 100675237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).