1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide

C16H17F2NO3S — CID 110018886

IUPAC1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1F)NCC(O)Cc1ccccc1
InChIInChI=1S/C16H17F2NO3S/c17-14-7-6-13(16(18)9-14)11-23(21,22)19-10-15(20)8-12-4-2-1-3-5-12/h1-7,9,15,19-20H,8,10-11H2
InChIKeyDUPOKNSQEQETKS-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.99
Rot. Bonds7

About 1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide

1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide (PubChem CID 110018886) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
PubChem CID110018886
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC Name1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1F)NCC(O)Cc1ccccc1
InChIInChI=1S/C16H17F2NO3S/c17-14-7-6-13(16(18)9-14)11-23(21,22)19-10-15(20)8-12-4-2-1-3-5-12/h1-7,9,15,19-20H,8,10-11H2
InChIKeyDUPOKNSQEQETKS-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-difluorophenyl)ethyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 111118085
N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide
CID 111439961
(2R,4S)-2-benzyl-N-[(2,4-difluorophenyl)methyl]-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide
CID 118334905
(2,4-difluorophenyl)methanesulfonic acid
CID 87155472
[1-(2,4-difluorophenyl)-3-phenylpropan-2-yl]hydrazine
CID 105195329
1-(2-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]methanesulfonamide
CID 110782254
N-benzyl-1-(2,4-difluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 110018858
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
N-(2,5-difluorophenyl)-3-[(2-hydroxy-3-phenylpropyl)amino]propanamide
CID 50960253
cis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid
CID 167914009
1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 62607777
(2R)-2-[(2,4-difluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 2123699

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide (CID 110018886) is 1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1F)NCC(O)Cc1ccccc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide?
The InChIKey is DUPOKNSQEQETKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c17-14-7-6-13(16(18)9-14)11-23(21,22)19-10-15(20)8-12-4-2-1-3-5-12/h1-7,9,15,19-20H,8,10-11H2.
What are the key properties of 1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide?
1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide is sourced from PubChem (CID 110018886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).