4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide

C21H18BrFN2O4S — CID 60557163

IUPAC4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Oc2cccc(F)c2)ccc1Br
InChIInChI=1S/C21H18BrFN2O4S/c1-25(2)30(27,28)20-12-14(10-11-17(20)22)21(26)24-18-8-3-4-9-19(18)29-16-7-5-6-15(23)13-16/h3-13H,1-2H3,(H,24,26)
InChIKeyNGNBZUUIKVHIQE-UHFFFAOYSA-N
MW493.35 g/mol
LogP4.88
Rot. Bonds6

About 4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide

4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide (PubChem CID 60557163) has the molecular formula C21H18BrFN2O4S and a molecular weight of 493.35 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide
PubChem CID60557163
Molecular FormulaC21H18BrFN2O4S
Molecular Weight493.35 g/mol
Exact Mass492.02
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Oc2cccc(F)c2)ccc1Br
InChIInChI=1S/C21H18BrFN2O4S/c1-25(2)30(27,28)20-12-14(10-11-17(20)22)21(26)24-18-8-3-4-9-19(18)29-16-7-5-6-15(23)13-16/h3-13H,1-2H3,(H,24,26)
InChIKeyNGNBZUUIKVHIQE-UHFFFAOYSA-N
XLogP4.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.35
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]-4-methoxybenzamide
CID 55981707
N-[2-(3-fluorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
CID 52725278
4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 55989473
4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 24684114
4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 26520201
4-bromo-3-(dimethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700495
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide
CID 110295913
4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26094922
2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide
CID 55386883
4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide
CID 55901716
N-(2,4-difluorophenyl)-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295940
phenyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 8765375

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide (CID 60557163) is 4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2Oc2cccc(F)c2)ccc1Br.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide?
The InChIKey is NGNBZUUIKVHIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN2O4S/c1-25(2)30(27,28)20-12-14(10-11-17(20)22)21(26)24-18-8-3-4-9-19(18)29-16-7-5-6-15(23)13-16/h3-13H,1-2H3,(H,24,26).
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide?
4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide has a molecular weight of 493.35 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N-[2-(3-fluorophenoxy)phenyl]benzamide is sourced from PubChem (CID 60557163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).