4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide

C19H23BrN2O5S — CID 26978285

IUPAC4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc(OC)c1Br
InChIInChI=1S/C19H23BrN2O5S/c1-11-7-14(28(24,25)22(3)4)10-15(12(11)2)21-19(23)13-8-16(26-5)18(20)17(9-13)27-6/h7-10H,1-6H3,(H,21,23)
InChIKeyDOEREHUXWPTIII-UHFFFAOYSA-N
MW471.37 g/mol
LogP3.59
Rot. Bonds6

About 4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide

4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide (PubChem CID 26978285) has the molecular formula C19H23BrN2O5S and a molecular weight of 471.37 g/mol. Its IUPAC name is 4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide
PubChem CID26978285
Molecular FormulaC19H23BrN2O5S
Molecular Weight471.37 g/mol
Exact Mass470.05
IUPAC Name4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc(OC)c1Br
InChIInChI=1S/C19H23BrN2O5S/c1-11-7-14(28(24,25)22(3)4)10-15(12(11)2)21-19(23)13-8-16(26-5)18(20)17(9-13)27-6/h7-10H,1-6H3,(H,21,23)
InChIKeyDOEREHUXWPTIII-UHFFFAOYSA-N
XLogP3.59
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide (CID 26978285) is 4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide is COc1cc(C(=O)Nc2cc(S(=O)(=O)N(C)C)cc(C)c2C)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide?
The InChIKey is DOEREHUXWPTIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O5S/c1-11-7-14(28(24,25)22(3)4)10-15(12(11)2)21-19(23)13-8-16(26-5)18(20)17(9-13)27-6/h7-10H,1-6H3,(H,21,23).
What are the key properties of 4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide?
4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide has a molecular weight of 471.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 26978285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).