4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide

C15H23BrN2O5S — CID 43010416

IUPAC4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H23BrN2O5S/c1-17(2)24(20,21)14-11-12(5-6-13(14)16)15(19)18(7-9-22-3)8-10-23-4/h5-6,11H,7-10H2,1-4H3
InChIKeyCNYYZJMOKZNUEY-UHFFFAOYSA-N
MW423.33 g/mol
LogP1.43
Rot. Bonds9

About 4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide

4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide (PubChem CID 43010416) has the molecular formula C15H23BrN2O5S and a molecular weight of 423.33 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide
PubChem CID43010416
Molecular FormulaC15H23BrN2O5S
Molecular Weight423.33 g/mol
Exact Mass422.05
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C15H23BrN2O5S/c1-17(2)24(20,21)14-11-12(5-6-13(14)16)15(19)18(7-9-22-3)8-10-23-4/h5-6,11H,7-10H2,1-4H3
InChIKeyCNYYZJMOKZNUEY-UHFFFAOYSA-N
XLogP1.43
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 112705653
4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
CID 43011499
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 46798216
4-bromo-3-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902316
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9227114
3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide
CID 61443550
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide
CID 115770617
3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61025267
N-ethyl-4-methoxy-N-(2-methoxyethyl)-3-sulfamoylbenzamide
CID 65386486
2-oxopropyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 7975289
4-bromo-3-(dimethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655936

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide (CID 43010416) is 4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide is COCCN(CCOC)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide?
The InChIKey is CNYYZJMOKZNUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O5S/c1-17(2)24(20,21)14-11-12(5-6-13(14)16)15(19)18(7-9-22-3)8-10-23-4/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide?
4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide has a molecular weight of 423.33 g/mol, XLogP of 1.43, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide is sourced from PubChem (CID 43010416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).