2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide

C14H11BrFNO3S — CID 115678157

IUPAC2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2Br)cc1
InChIInChI=1S/C14H11BrFNO3S/c1-21(19,20)10-7-5-9(6-8-10)17-14(18)13-11(15)3-2-4-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeyWOQNZJYGVGHDMQ-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.24
Rot. Bonds3

About 2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide

2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide (PubChem CID 115678157) has the molecular formula C14H11BrFNO3S and a molecular weight of 372.22 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide
PubChem CID115678157
Molecular FormulaC14H11BrFNO3S
Molecular Weight372.22 g/mol
Exact Mass370.96
IUPAC Name2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2Br)cc1
InChIInChI=1S/C14H11BrFNO3S/c1-21(19,20)10-7-5-9(6-8-10)17-14(18)13-11(15)3-2-4-12(13)16/h2-8H,1H3,(H,17,18)
InChIKeyWOQNZJYGVGHDMQ-UHFFFAOYSA-N
XLogP3.24
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-fluoro-N-(4-methoxyphenyl)benzamide
CID 115678058
2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
CID 59618072
N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide
CID 114558425
2-bromo-6-fluoro-N-(6-fluoro-3-pyridinyl)benzamide
CID 113262877
2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 115678055
N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
CID 115661329
2-bromo-6-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 115920885
2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide
CID 113250708
2,6-difluoro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17146819
7-bromo-N-(4-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 38912077
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide (CID 115678157) is 2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide is CS(=O)(=O)c1ccc(NC(=O)c2c(F)cccc2Br)cc1.
What is the InChIKey of 2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide?
The InChIKey is WOQNZJYGVGHDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3S/c1-21(19,20)10-7-5-9(6-8-10)17-14(18)13-11(15)3-2-4-12(13)16/h2-8H,1H3,(H,17,18).
What are the key properties of 2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide?
2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide has a molecular weight of 372.22 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 115678157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).