1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide

C16H17F2NO3S — CID 97331122

IUPAC1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide
SMILESO=S(=O)(Cc1c(F)cccc1F)NCC[C@H](O)c1ccccc1
InChIInChI=1S/C16H17F2NO3S/c17-14-7-4-8-15(18)13(14)11-23(21,22)19-10-9-16(20)12-5-2-1-3-6-12/h1-8,16,19-20H,9-11H2/t16-/m0/s1
InChIKeyMETIOKQTVYHZDM-INIZCTEOSA-N
MW341.38 g/mol
LogP2.51
Rot. Bonds7

About 1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide

1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide (PubChem CID 97331122) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide
PubChem CID97331122
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC Name1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide
SMILESO=S(=O)(Cc1c(F)cccc1F)NCC[C@H](O)c1ccccc1
InChIInChI=1S/C16H17F2NO3S/c17-14-7-4-8-15(18)13(14)11-23(21,22)19-10-9-16(20)12-5-2-1-3-6-12/h1-8,16,19-20H,9-11H2/t16-/m0/s1
InChIKeyMETIOKQTVYHZDM-INIZCTEOSA-N
XLogP2.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide
CID 97014801
1-(2-chlorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]methanesulfonamide
CID 97014800
N-(3-hydroxy-3-phenylpropyl)butane-1-sulfonamide
CID 111466269
4-fluoro-N-(3-hydroxy-3-phenylpropyl)-3-methylbenzenesulfonamide
CID 71782271
N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide
CID 110665794
N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
CID 90499632
3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol
CID 12951841
N-[(3S)-3-hydroxy-3-phenylpropyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 97038625
2-(2-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472132
N-(3-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
CID 90499598
N-(3,3-diphenylpropyl)-1-phenylmethanesulfonamide
CID 19680983
2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 76624652

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide (CID 97331122) is 1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide is O=S(=O)(Cc1c(F)cccc1F)NCC[C@H](O)c1ccccc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide?
The InChIKey is METIOKQTVYHZDM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c17-14-7-4-8-15(18)13(14)11-23(21,22)19-10-9-16(20)12-5-2-1-3-6-12/h1-8,16,19-20H,9-11H2/t16-/m0/s1.
What are the key properties of 1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide?
1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]methanesulfonamide is sourced from PubChem (CID 97331122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).