N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide

C15H13BrFNO3S — CID 27667525

IUPACN-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H13BrFNO3S/c1-22(20,21)9-10-3-2-4-11(7-10)15(19)18-14-6-5-12(16)8-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyGAGINAOBNHHXKG-UHFFFAOYSA-N
MW386.24 g/mol
LogP3.39
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide

N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide (PubChem CID 27667525) has the molecular formula C15H13BrFNO3S and a molecular weight of 386.24 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide
PubChem CID27667525
Molecular FormulaC15H13BrFNO3S
Molecular Weight386.24 g/mol
Exact Mass384.98
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(Br)cc2F)c1
InChIInChI=1S/C15H13BrFNO3S/c1-22(20,21)9-10-3-2-4-11(7-10)15(19)18-14-6-5-12(16)8-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyGAGINAOBNHHXKG-UHFFFAOYSA-N
XLogP3.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
CID 27781579
N-[5-chloro-2-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(methylsulfonylmethyl)benzamide
CID 55679771
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
N-(4-bromo-2-fluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26691619
N-(2,4-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 9095339
N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062523
N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667538
3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572209
[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-(methylsulfonylmethyl)benzoate
CID 55423609
N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide
CID 1279612
3-bromo-N-(2,4,5-trifluorophenyl)benzamide
CID 62816801
N-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide
CID 110166612

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide (CID 27667525) is N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide is CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(Br)cc2F)c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide?
The InChIKey is GAGINAOBNHHXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO3S/c1-22(20,21)9-10-3-2-4-11(7-10)15(19)18-14-6-5-12(16)8-13(14)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide?
N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide has a molecular weight of 386.24 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 27667525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).