2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide

C14H9BrF3NO3S — CID 55388311

IUPAC2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccccc1S(=O)(=O)C(F)F)c1ccc(F)cc1Br
InChIInChI=1S/C14H9BrF3NO3S/c15-10-7-8(16)5-6-9(10)13(20)19-11-3-1-2-4-12(11)23(21,22)14(17)18/h1-7,14H,(H,19,20)
InChIKeyMNYRJHTXAYUGKX-UHFFFAOYSA-N
MW408.20 g/mol
LogP3.84
Rot. Bonds4

About 2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide

2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide (PubChem CID 55388311) has the molecular formula C14H9BrF3NO3S and a molecular weight of 408.20 g/mol. Its IUPAC name is 2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide
PubChem CID55388311
Molecular FormulaC14H9BrF3NO3S
Molecular Weight408.20 g/mol
Exact Mass406.94
IUPAC Name2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccccc1S(=O)(=O)C(F)F)c1ccc(F)cc1Br
InChIInChI=1S/C14H9BrF3NO3S/c15-10-7-8(16)5-6-9(10)13(20)19-11-3-1-2-4-12(11)23(21,22)14(17)18/h1-7,14H,(H,19,20)
InChIKeyMNYRJHTXAYUGKX-UHFFFAOYSA-N
XLogP3.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 17461201
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N-[(2-bromo-5-fluorophenyl)methyl]-2-(difluoromethylsulfonyl)aniline
CID 78901267
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CID 115299526
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2-bromo-N-(3-chloro-2-methylphenyl)-4-fluorobenzamide
CID 24699585
N-[[2-(difluoromethylsulfonyl)phenyl]carbamoyl]-2,6-difluorobenzamide
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3,4-dichloro-N-[2-(difluoromethylsulfonyl)phenyl]benzamide
CID 8916740
3-(2-bromophenyl)-N-[2-(difluoromethylsulfonyl)phenyl]prop-2-enamide
CID 76858905
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CID 116814212

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide (CID 55388311) is 2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide is O=C(Nc1ccccc1S(=O)(=O)C(F)F)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide?
The InChIKey is MNYRJHTXAYUGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO3S/c15-10-7-8(16)5-6-9(10)13(20)19-11-3-1-2-4-12(11)23(21,22)14(17)18/h1-7,14H,(H,19,20).
What are the key properties of 2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide?
2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide has a molecular weight of 408.20 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(difluoromethylsulfonyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 55388311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).