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

C15H15F2NO2S — CID 135070840

IUPAC(2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol
SMILES[H]N=[S@@](=O)(c1ccccc1)C(F)(F)[C@@](C)(O)c1ccccc1
InChIInChI=1S/C15H15F2NO2S/c1-14(19,12-8-4-2-5-9-12)15(16,17)21(18,20)13-10-6-3-7-11-13/h2-11,18-19H,1H3/t14-,21+/m0/s1
InChIKeyYYEKDXSBVXWGME-LHSJRXKWSA-N
MW311.35 g/mol
LogP3.59
Rot. Bonds4

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

(2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol (PubChem CID 135070840) has the molecular formula C15H15F2NO2S and a molecular weight of 311.35 g/mol. Its IUPAC name is (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol
PubChem CID135070840
Molecular FormulaC15H15F2NO2S
Molecular Weight311.35 g/mol
Exact Mass311.08
IUPAC Name(2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol
SMILES[H]N=[S@@](=O)(c1ccccc1)C(F)(F)[C@@](C)(O)c1ccccc1
InChIInChI=1S/C15H15F2NO2S/c1-14(19,12-8-4-2-5-9-12)15(16,17)21(18,20)13-10-6-3-7-11-13/h2-11,18-19H,1H3/t14-,21+/m0/s1
InChIKeyYYEKDXSBVXWGME-LHSJRXKWSA-N
XLogP3.59
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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)propan-2-ol?
The IUPAC name of (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol (CID 135070840) is (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol.
What is the SMILES notation for (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol?
The canonical SMILES for (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol is [H]N=[S@@](=O)(c1ccccc1)C(F)(F)[C@@](C)(O)c1ccccc1.
What is the InChIKey of (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol?
The InChIKey is YYEKDXSBVXWGME-LHSJRXKWSA-N. The full InChI is InChI=1S/C15H15F2NO2S/c1-14(19,12-8-4-2-5-9-12)15(16,17)21(18,20)13-10-6-3-7-11-13/h2-11,18-19H,1H3/t14-,21+/m0/s1.
What are the key properties of (2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol?
(2S)-1,1-difluoro-2-phenyl-1-(phenylsulfonimidoyl)propan-2-ol has a molecular weight of 311.35 g/mol, XLogP of 3.59, 4 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)propan-2-ol is sourced from PubChem (CID 135070840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).