1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)methanesulfonamide

C15H16FNO3S — CID 43502423

IUPAC1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC(O)c1ccccc1
InChIInChI=1S/C15H16FNO3S/c16-14-8-6-12(7-9-14)11-21(19,20)17-10-15(18)13-4-2-1-3-5-13/h1-9,15,17-18H,10-11H2
InChIKeyHLPZZJWFVNFPRA-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.98
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)methanesulfonamide

1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)methanesulfonamide (PubChem CID 43502423) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)methanesulfonamide
PubChem CID43502423
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC(O)c1ccccc1
InChIInChI=1S/C15H16FNO3S/c16-14-8-6-12(7-9-14)11-21(19,20)17-10-15(18)13-4-2-1-3-5-13/h1-9,15,17-18H,10-11H2
InChIKeyHLPZZJWFVNFPRA-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)methanesulfonamide (CID 43502423) is 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCC(O)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)methanesulfonamide?
The InChIKey is HLPZZJWFVNFPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c16-14-8-6-12(7-9-14)11-21(19,20)17-10-15(18)13-4-2-1-3-5-13/h1-9,15,17-18H,10-11H2.
What are the key properties of 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)methanesulfonamide?
1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)methanesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)methanesulfonamide is sourced from PubChem (CID 43502423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).