N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide

C11H12F3NO2S — CID 43427741

IUPACN-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide
SMILESCC(O)CNC(=O)c1ccccc1SC(F)(F)F
InChIInChI=1S/C11H12F3NO2S/c1-7(16)6-15-10(17)8-4-2-3-5-9(8)18-11(12,13)14/h2-5,7,16H,6H2,1H3,(H,15,17)
InChIKeyONAVGZYUJDBURX-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.41
Rot. Bonds4

About N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide

N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide (PubChem CID 43427741) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide
PubChem CID43427741
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC NameN-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide
SMILESCC(O)CNC(=O)c1ccccc1SC(F)(F)F
InChIInChI=1S/C11H12F3NO2S/c1-7(16)6-15-10(17)8-4-2-3-5-9(8)18-11(12,13)14/h2-5,7,16H,6H2,1H3,(H,15,17)
InChIKeyONAVGZYUJDBURX-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-2-(trifluoromethylsulfanyl)benzamide
CID 106165344
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031297
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
5-[[2-(trifluoromethylsulfanyl)benzoyl]amino]pentanoic acid
CID 62033399
2-amino-N-(2-hydroxypropyl)benzamide;hydrochloride
CID 142025240
N,N-dipropyl-2-(trifluoromethylsulfanyl)benzamide
CID 78860224
N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 55604501
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(trifluoromethylsulfanyl)benzamide
CID 60556371
2,3-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 114344897
N-[4-(3-methylbutanoylamino)phenyl]-2-(trifluoromethylsulfanyl)benzamide
CID 55608407
N,N-diethyl-2-(trifluoromethylsulfanyl)benzamide
CID 60753360

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide (CID 43427741) is N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide is CC(O)CNC(=O)c1ccccc1SC(F)(F)F.
What is the InChIKey of N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide?
The InChIKey is ONAVGZYUJDBURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2S/c1-7(16)6-15-10(17)8-4-2-3-5-9(8)18-11(12,13)14/h2-5,7,16H,6H2,1H3,(H,15,17).
What are the key properties of N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide?
N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide has a molecular weight of 279.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 43427741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).