5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide

C12H8BrF2NO2S — CID 17393458

IUPAC5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1SC(F)F)c1ccc(Br)o1
InChIInChI=1S/C12H8BrF2NO2S/c13-10-6-5-8(18-10)11(17)16-7-3-1-2-4-9(7)19-12(14)15/h1-6,12H,(H,16,17)
InChIKeyNHQXMRQUWFNOGS-UHFFFAOYSA-N
MW348.17 g/mol
LogP4.61
Rot. Bonds4

About 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide

5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide (PubChem CID 17393458) has the molecular formula C12H8BrF2NO2S and a molecular weight of 348.17 g/mol. Its IUPAC name is 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide
PubChem CID17393458
Molecular FormulaC12H8BrF2NO2S
Molecular Weight348.17 g/mol
Exact Mass346.94
IUPAC Name5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1SC(F)F)c1ccc(Br)o1
InChIInChI=1S/C12H8BrF2NO2S/c13-10-6-5-8(18-10)11(17)16-7-3-1-2-4-9(7)19-12(14)15/h1-6,12H,(H,16,17)
InChIKeyNHQXMRQUWFNOGS-UHFFFAOYSA-N
XLogP4.61
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-ethylsulfanylphenyl)furan-2-carboxamide
CID 47310866
5-bromo-N-(2-phenylphenyl)furan-2-carboxamide
CID 2183264
N-[2-(difluoromethylsulfanyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43000512
5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
CID 835581
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 62954887
methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 728836
5-bromo-N-[2-(butanoylamino)phenyl]furan-2-carboxamide
CID 1297850
6-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
CID 66464448
2-bromo-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 63678703
N-[2-(difluoromethylsulfanyl)phenyl]-3,5-difluorobenzamide
CID 26180912
N-[2-[(5-bromofuran-2-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 55972451
N-[1-(5-bromofuran-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline
CID 104652024

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide (CID 17393458) is 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide is O=C(Nc1ccccc1SC(F)F)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide?
The InChIKey is NHQXMRQUWFNOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO2S/c13-10-6-5-8(18-10)11(17)16-7-3-1-2-4-9(7)19-12(14)15/h1-6,12H,(H,16,17).
What are the key properties of 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide?
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide has a molecular weight of 348.17 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 17393458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).