1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide

C16H18FNO3S — CID 75387105

IUPAC1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCC(O)Cc1ccccc1
InChIInChI=1S/C16H18FNO3S/c17-15-8-4-7-14(9-15)12-22(20,21)18-11-16(19)10-13-5-2-1-3-6-13/h1-9,16,18-19H,10-12H2
InChIKeySZZLOGAHBHLWTO-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.85
Rot. Bonds7

About 1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide

1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide (PubChem CID 75387105) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
PubChem CID75387105
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCC(O)Cc1ccccc1
InChIInChI=1S/C16H18FNO3S/c17-15-8-4-7-14(9-15)12-22(20,21)18-11-16(19)10-13-5-2-1-3-6-13/h1-9,16,18-19H,10-12H2
InChIKeySZZLOGAHBHLWTO-UHFFFAOYSA-N
XLogP1.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide (CID 75387105) is 1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)NCC(O)Cc1ccccc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide?
The InChIKey is SZZLOGAHBHLWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c17-15-8-4-7-14(9-15)12-22(20,21)18-11-16(19)10-13-5-2-1-3-6-13/h1-9,16,18-19H,10-12H2.
What are the key properties of 1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide?
1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide is sourced from PubChem (CID 75387105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).