N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide

C15H13F2NO2S — CID 103956330

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccccc2SC(F)F)ccc1O
InChIInChI=1S/C15H13F2NO2S/c1-9-8-10(6-7-12(9)19)14(20)18-11-4-2-3-5-13(11)21-15(16)17/h2-8,15,19H,1H3,(H,18,20)
InChIKeyRVWVGLVPWSOHOO-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.27
Rot. Bonds4

About N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide

N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide (PubChem CID 103956330) has the molecular formula C15H13F2NO2S and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide
PubChem CID103956330
Molecular FormulaC15H13F2NO2S
Molecular Weight309.34 g/mol
Exact Mass309.06
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccccc2SC(F)F)ccc1O
InChIInChI=1S/C15H13F2NO2S/c1-9-8-10(6-7-12(9)19)14(20)18-11-4-2-3-5-13(11)21-15(16)17/h2-8,15,19H,1H3,(H,18,20)
InChIKeyRVWVGLVPWSOHOO-UHFFFAOYSA-N
XLogP4.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide
CID 103956331
N-(2-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 103955332
N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide
CID 34737714
N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931
N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide
CID 26180912
N-(2-chlorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956204
4-hydroxy-3-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 107676526
3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 103955489
N-[2-(difluoromethylsulfanyl)phenyl]-2-fluoro-3-methylbenzamide
CID 80710567
4-hydroxy-3-methyl-N-(2-propylphenyl)benzamide
CID 103956497
3,4-dihydroxy-N-(2-methylphenyl)benzamide
CID 57150208
6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 66464448

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide (CID 103956330) is N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)Nc2ccccc2SC(F)F)ccc1O.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide?
The InChIKey is RVWVGLVPWSOHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2S/c1-9-8-10(6-7-12(9)19)14(20)18-11-4-2-3-5-13(11)21-15(16)17/h2-8,15,19H,1H3,(H,18,20).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide?
N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide has a molecular weight of 309.34 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 103956330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).