N-(2-bromo-4,6-difluorophenyl)-5-(butan-2-ylsulfamoyl)-2-fluorobenzamide

C17H16BrF3N2O3S — CID 4640233

IUPACN-(2-bromo-4,6-difluorophenyl)-5-(butan-2-ylsulfamoyl)-2-fluorobenzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2c(F)cc(F)cc2Br)c1
InChIInChI=1S/C17H16BrF3N2O3S/c1-3-9(2)23-27(25,26)11-4-5-14(20)12(8-11)17(24)22-16-13(18)6-10(19)7-15(16)21/h4-9,23H,3H2,1-2H3,(H,22,24)
InChIKeyDZJCQSNISUVHOR-UHFFFAOYSA-N
MW465.29 g/mol
LogP4.20
Rot. Bonds6

About N-(2-bromo-4,6-difluorophenyl)-5-(butan-2-ylsulfamoyl)-2-fluorobenzamide

N-(2-bromo-4,6-difluorophenyl)-5-(butan-2-ylsulfamoyl)-2-fluorobenzamide (PubChem CID 4640233) has the molecular formula C17H16BrF3N2O3S and a molecular weight of 465.29 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-5-(butan-2-ylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-5-(butan-2-ylsulfamoyl)-2-fluorobenzamide
PubChem CID4640233
Molecular FormulaC17H16BrF3N2O3S
Molecular Weight465.29 g/mol
Exact Mass464.00
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-5-(butan-2-ylsulfamoyl)-2-fluorobenzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2c(F)cc(F)cc2Br)c1
InChIInChI=1S/C17H16BrF3N2O3S/c1-3-9(2)23-27(25,26)11-4-5-14(20)12(8-11)17(24)22-16-13(18)6-10(19)7-15(16)21/h4-9,23H,3H2,1-2H3,(H,22,24)
InChIKeyDZJCQSNISUVHOR-UHFFFAOYSA-N
XLogP4.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.29
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-((benzylamino)sulfonyl)-4-bromo-N-(4-bromophenyl)benzamide
CID 1039737
3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
CID 1328033
N-(4-bromophenyl) 3-(4-bromophenylaminosulfonyl)benzamide
CID 1076689
N-cyclopentyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2358978
4-bromo-N-(4-bromophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1039736
3-(cyclopentylsulfamoyl)-N-phenylbenzamide
CID 793738
3-(benzylsulfamoyl)-N-(4-bromophenyl)-4-methylbenzamide
CID 1355932
2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 3535094
5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 3602784
5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 4115155
3-bromo-N-(3-sulfamoylphenyl)benzamide
CID 4236942
3-(N-(tert-butyl)sulfamoyl)-N-(4-fluorophenyl)benzamide
CID 8744874

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-5-(butan-2-ylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-5-(butan-2-ylsulfamoyl)-2-fluorobenzamide (CID 4640233) is N-(2-bromo-4,6-difluorophenyl)-5-(butan-2-ylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-5-(butan-2-ylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-5-(butan-2-ylsulfamoyl)-2-fluorobenzamide is CCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2c(F)cc(F)cc2Br)c1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-5-(butan-2-ylsulfamoyl)-2-fluorobenzamide?
The InChIKey is DZJCQSNISUVHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF3N2O3S/c1-3-9(2)23-27(25,26)11-4-5-14(20)12(8-11)17(24)22-16-13(18)6-10(19)7-15(16)21/h4-9,23H,3H2,1-2H3,(H,22,24).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-5-(butan-2-ylsulfamoyl)-2-fluorobenzamide?
N-(2-bromo-4,6-difluorophenyl)-5-(butan-2-ylsulfamoyl)-2-fluorobenzamide has a molecular weight of 465.29 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-5-(butan-2-ylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 4640233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).