2-fluoro-1-(4-methoxyphenyl)-2-(N-methyl-S-phenylsulfonimidoyl)ethanol

C16H18FNO3S — CID 14117220

IUPAC2-fluoro-1-(4-methoxyphenyl)-2-(N-methyl-S-phenylsulfonimidoyl)ethanol
SMILESCN=S(=O)(c1ccccc1)C(F)C(O)c1ccc(OC)cc1
InChIInChI=1S/C16H18FNO3S/c1-18-22(20,14-6-4-3-5-7-14)16(17)15(19)12-8-10-13(21-2)11-9-12/h3-11,15-16,19H,1-2H3
InChIKeyMSVVUSULHQRJDX-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.18
Rot. Bonds5

About 2-fluoro-1-(4-methoxyphenyl)-2-(N-methyl-S-phenylsulfonimidoyl)ethanol

2-fluoro-1-(4-methoxyphenyl)-2-(N-methyl-S-phenylsulfonimidoyl)ethanol (PubChem CID 14117220) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-fluoro-1-(4-methoxyphenyl)-2-(N-methyl-S-phenylsulfonimidoyl)ethanol.

Molecular Properties

Compound Name2-fluoro-1-(4-methoxyphenyl)-2-(N-methyl-S-phenylsulfonimidoyl)ethanol
PubChem CID14117220
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name2-fluoro-1-(4-methoxyphenyl)-2-(N-methyl-S-phenylsulfonimidoyl)ethanol
SMILESCN=S(=O)(c1ccccc1)C(F)C(O)c1ccc(OC)cc1
InChIInChI=1S/C16H18FNO3S/c1-18-22(20,14-6-4-3-5-7-14)16(17)15(19)12-8-10-13(21-2)11-9-12/h3-11,15-16,19H,1-2H3
InChIKeyMSVVUSULHQRJDX-UHFFFAOYSA-N
XLogP3.18
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(Thiiran-2-ylmethylsulfonyl)phenoxy]phenyl]methanol
CID 15941413
3-(Benzenesulfinyl)-1,1,1-trifluoro-5-(4-methoxyphenyl)pentan-2-ol
CID 3000055
1-(4-Methoxyphenyl)-4-[(4-methylsulfanylphenyl)methoxy]but-2-yn-1-ol
CID 56968386
2-(Benzenesulfinyl)-2,2-difluoro-1-(4-methoxyphenyl)ethanol
CID 11638185
Hnn7HX2xal
CID 11200929
alpha-(Phenylsulfonyldifluoromethyl)-4-methoxybenzenemethanol
CID 14291990
(1R,4R,5R)-3,3-dibutyl-7-fluoro-5-(4-methoxyphenyl)-1-oxo-4,5-dihydro-2H-1lambda4-benzothiepin-4-ol
CID 10598861
2-butyl-2-[[(R)-[4-fluoro-2-[(4-methoxyphenyl)methyl]phenyl]sulfinyl]methyl]hexan-1-ol
CID 10670491
(E,2E)-2-[hydroxy-(4-methoxyphenyl)methylidene]-4-phenylsulfanyl-3-(trifluoromethyl)but-3-enenitrile
CID 11749243
2,2-Bis(benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol
CID 101783922
2-(Benzenesulfonyl)-2-fluoro-1-(4-methoxyphenyl)ethanol
CID 134876060
2-(Benzenesulfonyl)-1-(2,4-dimethoxyphenyl)-2-fluoroethanol
CID 134876154

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-methoxyphenyl)-2-(N-methyl-S-phenylsulfonimidoyl)ethanol?
The IUPAC name of 2-fluoro-1-(4-methoxyphenyl)-2-(N-methyl-S-phenylsulfonimidoyl)ethanol (CID 14117220) is 2-fluoro-1-(4-methoxyphenyl)-2-(N-methyl-S-phenylsulfonimidoyl)ethanol.
What is the SMILES notation for 2-fluoro-1-(4-methoxyphenyl)-2-(N-methyl-S-phenylsulfonimidoyl)ethanol?
The canonical SMILES for 2-fluoro-1-(4-methoxyphenyl)-2-(N-methyl-S-phenylsulfonimidoyl)ethanol is CN=S(=O)(c1ccccc1)C(F)C(O)c1ccc(OC)cc1.
What is the InChIKey of 2-fluoro-1-(4-methoxyphenyl)-2-(N-methyl-S-phenylsulfonimidoyl)ethanol?
The InChIKey is MSVVUSULHQRJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-18-22(20,14-6-4-3-5-7-14)16(17)15(19)12-8-10-13(21-2)11-9-12/h3-11,15-16,19H,1-2H3.
What are the key properties of 2-fluoro-1-(4-methoxyphenyl)-2-(N-methyl-S-phenylsulfonimidoyl)ethanol?
2-fluoro-1-(4-methoxyphenyl)-2-(N-methyl-S-phenylsulfonimidoyl)ethanol has a molecular weight of 323.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-methoxyphenyl)-2-(N-methyl-S-phenylsulfonimidoyl)ethanol is sourced from PubChem (CID 14117220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).