2,6-difluoro-N-(2-methylsulfanylphenyl)benzamide

C14H11F2NOS — CID 874646

IUPAC2,6-difluoro-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H11F2NOS/c1-19-12-8-3-2-7-11(12)17-14(18)13-9(15)5-4-6-10(13)16/h2-8H,1H3,(H,17,18)
InChIKeyUPQCGAJYHNDWNI-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.94
Rot. Bonds3

About 2,6-difluoro-N-(2-methylsulfanylphenyl)benzamide

2,6-difluoro-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 874646) has the molecular formula C14H11F2NOS and a molecular weight of 279.31 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-methylsulfanylphenyl)benzamide
PubChem CID874646
Molecular FormulaC14H11F2NOS
Molecular Weight279.31 g/mol
Exact Mass279.05
IUPAC Name2,6-difluoro-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H11F2NOS/c1-19-12-8-3-2-7-11(12)17-14(18)13-9(15)5-4-6-10(13)16/h2-8H,1H3,(H,17,18)
InChIKeyUPQCGAJYHNDWNI-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenzothiazepinone
CID 374829
ST094272
CID 646061
N-(4-Fluorophenyl)benzamide
CID 242889
2-fluoro-N-(4-fluorophenyl)benzamide
CID 531933
2-Phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
CID 389490
N-({2-[(difluoromethyl)sulfanyl]phenyl}carbamoyl)-2,6-difluorobenzamide
CID 1494031
Stk238931
CID 926198
2,3,4,5,6-pentafluoro-N-(3-methylphenyl)benzamide
CID 532181
2-phenyl-4H-1,4-benzothiazin-3-one
CID 234768
n-(3-Fluorophenyl)benzamide
CID 242888
3-fluoro-N-phenylbenzamide
CID 242891
N-[2-(methylsulfanyl)phenyl]benzamide
CID 307228

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 2,6-difluoro-N-(2-methylsulfanylphenyl)benzamide (CID 874646) is 2,6-difluoro-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is UPQCGAJYHNDWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NOS/c1-19-12-8-3-2-7-11(12)17-14(18)13-9(15)5-4-6-10(13)16/h2-8H,1H3,(H,17,18).
What are the key properties of 2,6-difluoro-N-(2-methylsulfanylphenyl)benzamide?
2,6-difluoro-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 279.31 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 874646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).