2-(difluoromethylsulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide

C18H17F2NO4S — CID 99873856

IUPAC2-(difluoromethylsulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
SMILESO=C(NC[C@]1(O)CCc2ccccc21)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H17F2NO4S/c19-17(20)26(24,25)15-8-4-2-6-13(15)16(22)21-11-18(23)10-9-12-5-1-3-7-14(12)18/h1-8,17,23H,9-11H2,(H,21,22)/t18-/m1/s1
InChIKeyGTHAVBYOQGMQIS-GOSISDBHSA-N
MW381.40 g/mol
LogP2.25
Rot. Bonds5

About 2-(difluoromethylsulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide

2-(difluoromethylsulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide (PubChem CID 99873856) has the molecular formula C18H17F2NO4S and a molecular weight of 381.40 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
PubChem CID99873856
Molecular FormulaC18H17F2NO4S
Molecular Weight381.40 g/mol
Exact Mass381.08
IUPAC Name2-(difluoromethylsulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
SMILESO=C(NC[C@]1(O)CCc2ccccc21)c1ccccc1S(=O)(=O)C(F)F
InChIInChI=1S/C18H17F2NO4S/c19-17(20)26(24,25)15-8-4-2-6-13(15)16(22)21-11-18(23)10-9-12-5-1-3-7-14(12)18/h1-8,17,23H,9-11H2,(H,21,22)/t18-/m1/s1
InChIKeyGTHAVBYOQGMQIS-GOSISDBHSA-N
XLogP2.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 56764210
4-(pyrrolidin-1-ylsulfonyl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 71781992
N-[(1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 71782154
2-((difluoromethyl)sulfonyl)-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)benzamide
CID 76147782
N-{[(S)-1-hydroxy-1-indanyl]methyl}o-fluorobenzamide
CID 95983064
N-[(S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]o-(difluoromethylsulfonyl)benzamide
CID 99873772
N-[(S)-2-hydroxy-3-phenylpropyl]o-(difluoromethylsulfonyl)benzamide
CID 99982871
N-[(1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl]-2-(methylsulfanyl)benzamide
CID 71782139
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(phenylsulfonyl)propanamide
CID 71782165
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-4-(piperidin-1-ylsulfonyl)benzamide
CID 71782174
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-2-(methylthio)benzamide
CID 91631286
N-[(4-ethylsulfonylphenyl)methyl]-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzamide
CID 118396005

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide (CID 99873856) is 2-(difluoromethylsulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide is O=C(NC[C@]1(O)CCc2ccccc21)c1ccccc1S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
The InChIKey is GTHAVBYOQGMQIS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17F2NO4S/c19-17(20)26(24,25)15-8-4-2-6-13(15)16(22)21-11-18(23)10-9-12-5-1-3-7-14(12)18/h1-8,17,23H,9-11H2,(H,21,22)/t18-/m1/s1.
What are the key properties of 2-(difluoromethylsulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide?
2-(difluoromethylsulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide has a molecular weight of 381.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide is sourced from PubChem (CID 99873856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).