2,4-difluoro-6-hydroxy-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]benzamide

C16H15F2NO3S — CID 96570110

IUPAC2,4-difluoro-6-hydroxy-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]benzamide
SMILESC[S@@](=O)C[C@@H](NC(=O)c1c(O)cc(F)cc1F)c1ccccc1
InChIInChI=1S/C16H15F2NO3S/c1-23(22)9-13(10-5-3-2-4-6-10)19-16(21)15-12(18)7-11(17)8-14(15)20/h2-8,13,20H,9H2,1H3,(H,19,21)/t13-,23-/m1/s1
InChIKeyZSTVBTHUQYKGFX-JCQPUDPBSA-N
MW339.36 g/mol
LogP2.52
Rot. Bonds5

About 2,4-difluoro-6-hydroxy-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]benzamide

2,4-difluoro-6-hydroxy-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]benzamide (PubChem CID 96570110) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 2,4-difluoro-6-hydroxy-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-6-hydroxy-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]benzamide
PubChem CID96570110
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name2,4-difluoro-6-hydroxy-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]benzamide
SMILESC[S@@](=O)C[C@@H](NC(=O)c1c(O)cc(F)cc1F)c1ccccc1
InChIInChI=1S/C16H15F2NO3S/c1-23(22)9-13(10-5-3-2-4-6-10)19-16(21)15-12(18)7-11(17)8-14(15)20/h2-8,13,20H,9H2,1H3,(H,19,21)/t13-,23-/m1/s1
InChIKeyZSTVBTHUQYKGFX-JCQPUDPBSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-6-hydroxy-N-(2-methylsulfinyl-1-phenylethyl)benzamide
CID 71980616
3-chloro-4-hydroxy-N-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]benzamide
CID 95972136
2-(3-hydroxyphenyl)-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]acetamide
CID 96526173
2-(3-hydroxyphenyl)-N-(2-methylsulfinyl-1-phenylethyl)acetamide
CID 71863857
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
N-(2-methylsulfinyl-1-phenylethyl)-3H-benzimidazole-5-carboxamide
CID 71980141
4-amino-N-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]-3-nitrobenzamide
CID 96522392
N-(2-methylsulfinyl-1-phenylethyl)-1H-indole-7-carboxamide
CID 71983052
N-(2-methylsulfinyl-1-phenylethyl)-2,3-dihydro-1H-indene-4-carboxamide
CID 119037635
N'-(2-methylsulfinyl-1-phenylethyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 75392005
4-(methylamino)-N-(2-methylsulfinyl-1-phenylethyl)butanamide
CID 119805754

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-hydroxy-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]benzamide?
The IUPAC name of 2,4-difluoro-6-hydroxy-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]benzamide (CID 96570110) is 2,4-difluoro-6-hydroxy-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-6-hydroxy-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]benzamide?
The canonical SMILES for 2,4-difluoro-6-hydroxy-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]benzamide is C[S@@](=O)C[C@@H](NC(=O)c1c(O)cc(F)cc1F)c1ccccc1.
What is the InChIKey of 2,4-difluoro-6-hydroxy-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]benzamide?
The InChIKey is ZSTVBTHUQYKGFX-JCQPUDPBSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-23(22)9-13(10-5-3-2-4-6-10)19-16(21)15-12(18)7-11(17)8-14(15)20/h2-8,13,20H,9H2,1H3,(H,19,21)/t13-,23-/m1/s1.
What are the key properties of 2,4-difluoro-6-hydroxy-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]benzamide?
2,4-difluoro-6-hydroxy-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]benzamide has a molecular weight of 339.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-hydroxy-N-[(1S)-2-[(R)-methylsulfinyl]-1-phenylethyl]benzamide is sourced from PubChem (CID 96570110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).