2-(difluoromethylsulfonyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]benzamide

C17H17F2NO4S — CID 99982871

IUPAC2-(difluoromethylsulfonyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]benzamide
SMILESO=C(NC[C@@H](O)Cc1ccccc1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C17H17F2NO4S/c18-17(19)25(23,24)15-9-5-4-8-14(15)16(22)20-11-13(21)10-12-6-2-1-3-7-12/h1-9,13,17,21H,10-11H2,(H,20,22)/t13-/m0/s1
InChIKeyQUTDGVORVZUCDU-ZDUSSCGKSA-N
MW369.39 g/mol
LogP2.02
Rot. Bonds7

About 2-(difluoromethylsulfonyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]benzamide

2-(difluoromethylsulfonyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]benzamide (PubChem CID 99982871) has the molecular formula C17H17F2NO4S and a molecular weight of 369.39 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]benzamide
PubChem CID99982871
Molecular FormulaC17H17F2NO4S
Molecular Weight369.39 g/mol
Exact Mass369.08
IUPAC Name2-(difluoromethylsulfonyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]benzamide
SMILESO=C(NC[C@@H](O)Cc1ccccc1)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C17H17F2NO4S/c18-17(19)25(23,24)15-9-5-4-8-14(15)16(22)20-11-13(21)10-12-6-2-1-3-7-12/h1-9,13,17,21H,10-11H2,(H,20,22)/t13-/m0/s1
InChIKeyQUTDGVORVZUCDU-ZDUSSCGKSA-N
XLogP2.02
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]benzamide?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]benzamide (CID 99982871) is 2-(difluoromethylsulfonyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]benzamide is O=C(NC[C@@H](O)Cc1ccccc1)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]benzamide?
The InChIKey is QUTDGVORVZUCDU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17F2NO4S/c18-17(19)25(23,24)15-9-5-4-8-14(15)16(22)20-11-13(21)10-12-6-2-1-3-7-12/h1-9,13,17,21H,10-11H2,(H,20,22)/t13-/m0/s1.
What are the key properties of 2-(difluoromethylsulfonyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]benzamide?
2-(difluoromethylsulfonyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]benzamide has a molecular weight of 369.39 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-[(2S)-2-hydroxy-3-phenylpropyl]benzamide is sourced from PubChem (CID 99982871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).