4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide

C18H21BrN2O4S — CID 46798216

IUPAC4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H21BrN2O4S/c1-20(2)26(23,24)17-13-14(9-10-16(17)19)18(22)21(3)11-12-25-15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3
InChIKeyFPPPXAAGBKUTSK-UHFFFAOYSA-N
MW441.35 g/mol
LogP2.85
Rot. Bonds7

About 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide

4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide (PubChem CID 46798216) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
PubChem CID46798216
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
SMILESCN(CCOc1ccccc1)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H21BrN2O4S/c1-20(2)26(23,24)17-13-14(9-10-16(17)19)18(22)21(3)11-12-25-15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3
InChIKeyFPPPXAAGBKUTSK-UHFFFAOYSA-N
XLogP2.85
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(diethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960780
phenyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 8765375
2-bromo-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 103751913
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055
4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43010416
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9227114
4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
CID 43011499
4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide
CID 60589214
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 78770854
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 27822020
4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 31213510
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26698316

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide (CID 46798216) is 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide is CN(CCOc1ccccc1)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide?
The InChIKey is FPPPXAAGBKUTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-20(2)26(23,24)17-13-14(9-10-16(17)19)18(22)21(3)11-12-25-15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide?
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide has a molecular weight of 441.35 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 46798216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).