N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide

C11H11F4NO2S — CID 104857627

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide
SMILESO=C(NCC(F)(F)CO)c1ccccc1SC(F)F
InChIInChI=1S/C11H11F4NO2S/c12-10(13)19-8-4-2-1-3-7(8)9(18)16-5-11(14,15)6-17/h1-4,10,17H,5-6H2,(H,16,18)
InChIKeyUKFYIHJSSQKEQD-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.36
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide (PubChem CID 104857627) has the molecular formula C11H11F4NO2S and a molecular weight of 297.27 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide
PubChem CID104857627
Molecular FormulaC11H11F4NO2S
Molecular Weight297.27 g/mol
Exact Mass297.04
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide
SMILESO=C(NCC(F)(F)CO)c1ccccc1SC(F)F
InChIInChI=1S/C11H11F4NO2S/c12-10(13)19-8-4-2-1-3-7(8)9(18)16-5-11(14,15)6-17/h1-4,10,17H,5-6H2,(H,16,18)
InChIKeyUKFYIHJSSQKEQD-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]acetate
CID 60816131
N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide
CID 104858075
N-(2-aminoethyl)-2-(difluoromethylsulfanyl)benzamide;hydrochloride
CID 119382897
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide
CID 104857085
N-(2-bromoprop-2-enyl)-2-(difluoromethylsulfanyl)benzamide
CID 115594443
2-(difluoromethylsulfanyl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzamide
CID 103800613
N-tert-butyl-2-(difluoromethylsulfanyl)benzamide
CID 60645913
N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 113462770
3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide
CID 106548223
6-[[2-(difluoromethylsulfanyl)benzoyl]amino]hexanoic acid
CID 43091720
(2R)-2-[[2-(difluoromethylsulfanyl)benzoyl]amino]propanoic acid
CID 54990748
N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 104864887

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide (CID 104857627) is N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide is O=C(NCC(F)(F)CO)c1ccccc1SC(F)F.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide?
The InChIKey is UKFYIHJSSQKEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO2S/c12-10(13)19-8-4-2-1-3-7(8)9(18)16-5-11(14,15)6-17/h1-4,10,17H,5-6H2,(H,16,18).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide has a molecular weight of 297.27 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide is sourced from PubChem (CID 104857627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).