4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide

C17H18BrClN2O5S — CID 24684114

IUPAC4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
SMILESCOc1cc(Cl)c(NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)cc1OC
InChIInChI=1S/C17H18BrClN2O5S/c1-21(2)27(23,24)16-7-10(5-6-11(16)18)17(22)20-13-9-15(26-4)14(25-3)8-12(13)19/h5-9H,1-4H3,(H,20,22)
InChIKeyKUPQYAVGKCCGKF-UHFFFAOYSA-N
MW477.76 g/mol
LogP3.62
Rot. Bonds6

About 4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide

4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide (PubChem CID 24684114) has the molecular formula C17H18BrClN2O5S and a molecular weight of 477.76 g/mol. Its IUPAC name is 4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
PubChem CID24684114
Molecular FormulaC17H18BrClN2O5S
Molecular Weight477.76 g/mol
Exact Mass475.98
IUPAC Name4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
SMILESCOc1cc(Cl)c(NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)cc1OC
InChIInChI=1S/C17H18BrClN2O5S/c1-21(2)27(23,24)16-7-10(5-6-11(16)18)17(22)20-13-9-15(26-4)14(25-3)8-12(13)19/h5-9H,1-4H3,(H,20,22)
InChIKeyKUPQYAVGKCCGKF-UHFFFAOYSA-N
XLogP3.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26094922
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55670093
4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26409361
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102014
N-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 26775018
3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide
CID 55783314
N-(2,4-dichlorophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792661
methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 55556618
4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide
CID 55901716
N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55339628
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide (CID 24684114) is 4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide is COc1cc(Cl)c(NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)cc1OC.
What is the InChIKey of 4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide?
The InChIKey is KUPQYAVGKCCGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O5S/c1-21(2)27(23,24)16-7-10(5-6-11(16)18)17(22)20-13-9-15(26-4)14(25-3)8-12(13)19/h5-9H,1-4H3,(H,20,22).
What are the key properties of 4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide?
4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide has a molecular weight of 477.76 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 24684114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).