2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide

C15H16FNO3S — CID 21078640

IUPAC2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC(CO)Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C15H16FNO3S/c16-14-8-4-5-9-15(14)21(19,20)17-13(11-18)10-12-6-2-1-3-7-12/h1-9,13,17-18H,10-11H2
InChIKeyOVBYGFXNEFOZBO-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.71
Rot. Bonds6

About 2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide

2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide (PubChem CID 21078640) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
PubChem CID21078640
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC(CO)Cc1ccccc1)c1ccccc1F
InChIInChI=1S/C15H16FNO3S/c16-14-8-4-5-9-15(14)21(19,20)17-13(11-18)10-12-6-2-1-3-7-12/h1-9,13,17-18H,10-11H2
InChIKeyOVBYGFXNEFOZBO-UHFFFAOYSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide (CID 21078640) is 2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide is O=S(=O)(NC(CO)Cc1ccccc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide?
The InChIKey is OVBYGFXNEFOZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c16-14-8-4-5-9-15(14)21(19,20)17-13(11-18)10-12-6-2-1-3-7-12/h1-9,13,17-18H,10-11H2.
What are the key properties of 2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide?
2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 21078640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).