4-bromo-2-fluoro-N-(3-methylsulfonylphenyl)benzamide

C14H11BrFNO3S — CID 9072640

IUPAC4-bromo-2-fluoro-N-(3-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(Br)cc2F)c1
InChIInChI=1S/C14H11BrFNO3S/c1-21(19,20)11-4-2-3-10(8-11)17-14(18)12-6-5-9(15)7-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyUDGYOOCTOXFHTM-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.24
Rot. Bonds3

About 4-bromo-2-fluoro-N-(3-methylsulfonylphenyl)benzamide

4-bromo-2-fluoro-N-(3-methylsulfonylphenyl)benzamide (PubChem CID 9072640) has the molecular formula C14H11BrFNO3S and a molecular weight of 372.22 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(3-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(3-methylsulfonylphenyl)benzamide
PubChem CID9072640
Molecular FormulaC14H11BrFNO3S
Molecular Weight372.22 g/mol
Exact Mass370.96
IUPAC Name4-bromo-2-fluoro-N-(3-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(Br)cc2F)c1
InChIInChI=1S/C14H11BrFNO3S/c1-21(19,20)11-4-2-3-10(8-11)17-14(18)12-6-5-9(15)7-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyUDGYOOCTOXFHTM-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(3-methylsulfonylphenyl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(3-methylsulfonylphenyl)benzamide (CID 9072640) is 4-bromo-2-fluoro-N-(3-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(3-methylsulfonylphenyl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(3-methylsulfonylphenyl)benzamide is CS(=O)(=O)c1cccc(NC(=O)c2ccc(Br)cc2F)c1.
What is the InChIKey of 4-bromo-2-fluoro-N-(3-methylsulfonylphenyl)benzamide?
The InChIKey is UDGYOOCTOXFHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3S/c1-21(19,20)11-4-2-3-10(8-11)17-14(18)12-6-5-9(15)7-13(12)16/h2-8H,1H3,(H,17,18).
What are the key properties of 4-bromo-2-fluoro-N-(3-methylsulfonylphenyl)benzamide?
4-bromo-2-fluoro-N-(3-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 4-bromo-2-fluoro-N-(3-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 9072640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).