(2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol

C17H19F2NO2S — CID 135071208

IUPAC(2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol
SMILES[H]N=[S@@](=O)(c1ccccc1)C(F)(F)[C@](O)(CCC)c1ccccc1
InChIInChI=1S/C17H19F2NO2S/c1-2-13-16(21,14-9-5-3-6-10-14)17(18,19)23(20,22)15-11-7-4-8-12-15/h3-12,20-21H,2,13H2,1H3/t16-,23+/m0/s1
InChIKeyACNRMJVOTSZKFM-QMHKHESXSA-N
MW339.41 g/mol
LogP4.37
Rot. Bonds6

About (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol

(2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol (PubChem CID 135071208) has the molecular formula C17H19F2NO2S and a molecular weight of 339.41 g/mol. Its IUPAC name is (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol.

Molecular Properties

Compound Name(2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol
PubChem CID135071208
Molecular FormulaC17H19F2NO2S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Name(2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol
SMILES[H]N=[S@@](=O)(c1ccccc1)C(F)(F)[C@](O)(CCC)c1ccccc1
InChIInChI=1S/C17H19F2NO2S/c1-2-13-16(21,14-9-5-3-6-10-14)17(18,19)23(20,22)15-11-7-4-8-12-15/h3-12,20-21H,2,13H2,1H3/t16-,23+/m0/s1
InChIKeyACNRMJVOTSZKFM-QMHKHESXSA-N
XLogP4.37
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,3,3,3-Hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol
CID 118212096
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-2-(4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenylsulfonyl)benzonitrile
CID 52941278
Rac-2-(4-(2-cyclopropylphenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52943645
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
US9771320, Example 10
CID 118212056
US9771320, Example 125
CID 118220706
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

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol?
The IUPAC name of (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol (CID 135071208) is (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol.
What is the SMILES notation for (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol?
The canonical SMILES for (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol is [H]N=[S@@](=O)(c1ccccc1)C(F)(F)[C@](O)(CCC)c1ccccc1.
What is the InChIKey of (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol?
The InChIKey is ACNRMJVOTSZKFM-QMHKHESXSA-N. The full InChI is InChI=1S/C17H19F2NO2S/c1-2-13-16(21,14-9-5-3-6-10-14)17(18,19)23(20,22)15-11-7-4-8-12-15/h3-12,20-21H,2,13H2,1H3/t16-,23+/m0/s1.
What are the key properties of (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol?
(2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol has a molecular weight of 339.41 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)pentan-2-ol is sourced from PubChem (CID 135071208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).