(2S)-1-fluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol

C15H16FNO2S — CID 135062051

IUPAC(2S)-1-fluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol
SMILES[H]N=[S@@](=O)(c1ccccc1)C(F)[C@@](C)(O)c1ccccc1
InChIInChI=1S/C15H16FNO2S/c1-15(18,12-8-4-2-5-9-12)14(16)20(17,19)13-10-6-3-7-11-13/h2-11,14,17-18H,1H3/t14?,15-,20+/m0/s1
InChIKeyPGZNPJZCQMZKRJ-VSUHRXMYSA-N
MW293.36 g/mol
LogP3.30
Rot. Bonds4

About (2S)-1-fluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol

(2S)-1-fluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol (PubChem CID 135062051) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is (2S)-1-fluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-fluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol
PubChem CID135062051
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name(2S)-1-fluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol
SMILES[H]N=[S@@](=O)(c1ccccc1)C(F)[C@@](C)(O)c1ccccc1
InChIInChI=1S/C15H16FNO2S/c1-15(18,12-8-4-2-5-9-12)14(16)20(17,19)13-10-6-3-7-11-13/h2-11,14,17-18H,1H3/t14?,15-,20+/m0/s1
InChIKeyPGZNPJZCQMZKRJ-VSUHRXMYSA-N
XLogP3.30
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Rac-1,1,1-trifluoro-2-(4-(o-tolylsulfonyl)phenyl)propan-2-ol
CID 11515715
2-[4-(2-Ethylbenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941221
Rac-1,1,1-trifluoro-2-(4-(phenylsulfonyl)phenyl)propan-2-ol
CID 52944762
Rac-2-(4-(2-tert-butylphenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52946104
Rac-1,1,1-trifluoro-2-(4-(2-(trifluoromethyl)phenylsulfonyl)phenyl)propan-2-ol
CID 52949732
1-(Benzylsulfonyl)-2-(4-methylphenyl)-2-propanol
CID 3571091
Rac-1,1,1-trifluoro-2-(4-(2-fluorophenylsulfonyl)phenyl)propan-2-ol
CID 52941220
Rac-1,1,1-trifluoro-2-(4-(4-fluorophenylsulfonyl)phenyl)propan-2-ol
CID 52942397
Rac-1,1,1-trifluoro-2-(4-(2-isopropylphenylsulfonyl)phenyl)propan-2-ol
CID 52945262
Rac-1,1,1-trifluoro-2-(4-(2-(2-hydroxypropan-2-yl)phenylsulfonyl)phenyl)propan-2-ol
CID 52946156
1,1,1,3,3,3-Hexafluoro-2-(4-(p-tolylthio)phenyl)propan-2-ol
CID 52949995
1-Phenyl-2-(phenylsulfinyl)ethanol
CID 288472

Frequently Asked Questions

What is the IUPAC name of (2S)-1-fluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol?
The IUPAC name of (2S)-1-fluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol (CID 135062051) is (2S)-1-fluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol.
What is the SMILES notation for (2S)-1-fluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol?
The canonical SMILES for (2S)-1-fluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol is [H]N=[S@@](=O)(c1ccccc1)C(F)[C@@](C)(O)c1ccccc1.
What is the InChIKey of (2S)-1-fluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol?
The InChIKey is PGZNPJZCQMZKRJ-VSUHRXMYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-15(18,12-8-4-2-5-9-12)14(16)20(17,19)13-10-6-3-7-11-13/h2-11,14,17-18H,1H3/t14?,15-,20+/m0/s1.
What are the key properties of (2S)-1-fluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol?
(2S)-1-fluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol has a molecular weight of 293.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-fluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol is sourced from PubChem (CID 135062051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).