2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide

C15H13F2NO3S — CID 129385832

IUPAC2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide
SMILESO=C(C[S@](=O)C(c1ccc(F)cc1)c1ccc(F)cc1)NO
InChIInChI=1S/C15H13F2NO3S/c16-12-5-1-10(2-6-12)15(22(21)9-14(19)18-20)11-3-7-13(17)8-4-11/h1-8,15,20H,9H2,(H,18,19)/t22-/m0/s1
InChIKeyVKGUUSVYPXTWMA-QFIPXVFZSA-N
MW325.34 g/mol
LogP2.31
Rot. Bonds5

About 2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide

2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide (PubChem CID 129385832) has the molecular formula C15H13F2NO3S and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide
PubChem CID129385832
Molecular FormulaC15H13F2NO3S
Molecular Weight325.34 g/mol
Exact Mass325.06
IUPAC Name2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide
SMILESO=C(C[S@](=O)C(c1ccc(F)cc1)c1ccc(F)cc1)NO
InChIInChI=1S/C15H13F2NO3S/c16-12-5-1-10(2-6-12)15(22(21)9-14(19)18-20)11-3-7-13(17)8-4-11/h1-8,15,20H,9H2,(H,18,19)/t22-/m0/s1
InChIKeyVKGUUSVYPXTWMA-QFIPXVFZSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide
CID 13316557
2-[bis(4-fluorophenyl)methylsulfinyl]-N-methoxyacetamide
CID 11960308
1-[(4-fluorophenyl)-phenylmethyl]sulfinylpropan-2-one
CID 67474857
ethyl 2-[bis(4-fluorophenyl)methylsulfinyl]acetate
CID 141367821
3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide
CID 58811248
bis[[(S)-bis(4-fluorophenyl)methylsulfinyl]methoxy]-oxophosphanium
CID 175504422
5-[bis(4-fluorophenyl)methylsulfinylmethyl]-1,3-thiazole
CID 155534330
5-(4-fluorophenyl)sulfanyl-N-hydroxypentanamide
CID 137363853
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(S)-2-hydroxyethylsulfinyl]propanamide
CID 97088403
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyethylsulfinyl)propanamide
CID 71911762
2-[1-(2,4-difluorophenyl)-1-oxopropan-2-yl]sulfinyl-N-methylacetamide
CID 114232235
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide?
The IUPAC name of 2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide (CID 129385832) is 2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide?
The canonical SMILES for 2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide is O=C(C[S@](=O)C(c1ccc(F)cc1)c1ccc(F)cc1)NO.
What is the InChIKey of 2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide?
The InChIKey is VKGUUSVYPXTWMA-QFIPXVFZSA-N. The full InChI is InChI=1S/C15H13F2NO3S/c16-12-5-1-10(2-6-12)15(22(21)9-14(19)18-20)11-3-7-13(17)8-4-11/h1-8,15,20H,9H2,(H,18,19)/t22-/m0/s1.
What are the key properties of 2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide?
2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide has a molecular weight of 325.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide is sourced from PubChem (CID 129385832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).