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

C14H11BrFNO3S — CID 103706508

IUPAC3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H11BrFNO3S/c1-21(19,20)11-4-2-3-10(8-11)17-14(18)9-5-6-13(16)12(15)7-9/h2-8H,1H3,(H,17,18)
InChIKeyKGTTVUHKVLPQMA-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.24
Rot. Bonds3

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

3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide (PubChem CID 103706508) has the molecular formula C14H11BrFNO3S and a molecular weight of 372.22 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide
PubChem CID103706508
Molecular FormulaC14H11BrFNO3S
Molecular Weight372.22 g/mol
Exact Mass370.96
IUPAC Name3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H11BrFNO3S/c1-21(19,20)11-4-2-3-10(8-11)17-14(18)9-5-6-13(16)12(15)7-9/h2-8H,1H3,(H,17,18)
InChIKeyKGTTVUHKVLPQMA-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

N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
CID 115661329
3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706269
3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 103710619
(3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 79735532
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate
CID 103706368
3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 107952935
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
N-[3-(aminomethyl)phenyl]-3-bromo-4-fluorobenzamide
CID 103804951
3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide
CID 43436961
3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 104852044
3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide
CID 55637881
3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide
CID 60923802

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide (CID 103706508) is 3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide is CS(=O)(=O)c1cccc(NC(=O)c2ccc(F)c(Br)c2)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide?
The InChIKey is KGTTVUHKVLPQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3S/c1-21(19,20)11-4-2-3-10(8-11)17-14(18)9-5-6-13(16)12(15)7-9/h2-8H,1H3,(H,17,18).
What are the key properties of 3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide?
3-bromo-4-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 3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 103706508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).