2-fluoro-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide

C15H16FNO3S — CID 140551012

IUPAC2-fluoro-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc([C@@H](CO)Cc2ccccc2)c1F
InChIInChI=1S/C15H16FNO3S/c16-15-13(7-4-8-14(15)21(17,19)20)12(10-18)9-11-5-2-1-3-6-11/h1-8,12,18H,9-10H2,(H2,17,19,20)/t12-/m1/s1
InChIKeyVNWFYLONFYYHMO-GFCCVEGCSA-N
MW309.36 g/mol
LogP1.79
Rot. Bonds5

About 2-fluoro-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide

2-fluoro-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide (PubChem CID 140551012) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-fluoro-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide
PubChem CID140551012
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name2-fluoro-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc([C@@H](CO)Cc2ccccc2)c1F
InChIInChI=1S/C15H16FNO3S/c16-15-13(7-4-8-14(15)21(17,19)20)12(10-18)9-11-5-2-1-3-6-11/h1-8,12,18H,9-10H2,(H2,17,19,20)/t12-/m1/s1
InChIKeyVNWFYLONFYYHMO-GFCCVEGCSA-N
XLogP1.79
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide (CID 140551012) is 2-fluoro-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide is NS(=O)(=O)c1cccc([C@@H](CO)Cc2ccccc2)c1F.
What is the InChIKey of 2-fluoro-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide?
The InChIKey is VNWFYLONFYYHMO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16FNO3S/c16-15-13(7-4-8-14(15)21(17,19)20)12(10-18)9-11-5-2-1-3-6-11/h1-8,12,18H,9-10H2,(H2,17,19,20)/t12-/m1/s1.
What are the key properties of 2-fluoro-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide?
2-fluoro-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 140551012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).