4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide

C14H10BrF2NO2S — CID 103956331

IUPAC4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide
SMILESO=C(Nc1ccccc1SC(F)F)c1ccc(Br)c(O)c1
InChIInChI=1S/C14H10BrF2NO2S/c15-9-6-5-8(7-11(9)19)13(20)18-10-3-1-2-4-12(10)21-14(16)17/h1-7,14,19H,(H,18,20)
InChIKeyHORUPPQFKDRLKX-UHFFFAOYSA-N
MW374.21 g/mol
LogP4.72
Rot. Bonds4

About 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide

4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide (PubChem CID 103956331) has the molecular formula C14H10BrF2NO2S and a molecular weight of 374.21 g/mol. Its IUPAC name is 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide
PubChem CID103956331
Molecular FormulaC14H10BrF2NO2S
Molecular Weight374.21 g/mol
Exact Mass372.96
IUPAC Name4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide
SMILESO=C(Nc1ccccc1SC(F)F)c1ccc(Br)c(O)c1
InChIInChI=1S/C14H10BrF2NO2S/c15-9-6-5-8(7-11(9)19)13(20)18-10-3-1-2-4-12(10)21-14(16)17/h1-7,14,19H,(H,18,20)
InChIKeyHORUPPQFKDRLKX-UHFFFAOYSA-N
XLogP4.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 103956330
6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 66464448
N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide
CID 114103160
N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide
CID 26180912
N-(2-bromophenyl)-3-hydroxy-4-iodobenzamide
CID 104627291
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide
CID 17393458
3-hydroxy-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 103955489
N-[2-(difluoromethylsulfanyl)phenyl]-2,4-dimethylbenzamide
CID 34737714
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 62954887
4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103957362
3-bromo-4-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 81472688
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide (CID 103956331) is 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide is O=C(Nc1ccccc1SC(F)F)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide?
The InChIKey is HORUPPQFKDRLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO2S/c15-9-6-5-8(7-11(9)19)13(20)18-10-3-1-2-4-12(10)21-14(16)17/h1-7,14,19H,(H,18,20).
What are the key properties of 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide?
4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide has a molecular weight of 374.21 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-3-hydroxybenzamide is sourced from PubChem (CID 103956331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).