N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide

C14H11BrFNO3S — CID 115661329

IUPACN-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H11BrFNO3S/c1-21(19,20)11-4-2-3-9(7-11)14(18)17-10-5-6-13(16)12(15)8-10/h2-8H,1H3,(H,17,18)
InChIKeyVPQDWOYFTOJYEP-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.24
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide

N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide (PubChem CID 115661329) has the molecular formula C14H11BrFNO3S and a molecular weight of 372.22 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
PubChem CID115661329
Molecular FormulaC14H11BrFNO3S
Molecular Weight372.22 g/mol
Exact Mass370.96
IUPAC NameN-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H11BrFNO3S/c1-21(19,20)11-4-2-3-9(7-11)14(18)17-10-5-6-13(16)12(15)8-10/h2-8H,1H3,(H,17,18)
InChIKeyVPQDWOYFTOJYEP-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

3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide
CID 103706508
(3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 79735532
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
CID 104779331
N-(3-bromo-4-fluorophenyl)-3-[(3-methyloxetan-3-yl)methylsulfonyl]benzamide
CID 158482888
N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
CID 51149042
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735
N-[4-[(3-bromobenzoyl)amino]-2-methylphenyl]-3-methylsulfonylbenzamide
CID 46542213
N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide
CID 104779320
3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 103710619
tert-butyl N-[4-fluoro-3-[(3-methylsulfonylbenzoyl)amino]phenyl]carbamate
CID 137353839
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide (CID 115661329) is N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(Br)c2)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide?
The InChIKey is VPQDWOYFTOJYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO3S/c1-21(19,20)11-4-2-3-9(7-11)14(18)17-10-5-6-13(16)12(15)8-10/h2-8H,1H3,(H,17,18).
What are the key properties of N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide?
N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide 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 N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 115661329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).