4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide

C21H21BrN2O3S — CID 60607346

IUPAC4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H21BrN2O3S/c1-4-24(18-11-9-15-7-5-6-8-16(15)13-18)21(25)17-10-12-19(22)20(14-17)28(26,27)23(2)3/h5-14H,4H2,1-3H3
InChIKeyNOXCLQPIZPNMST-UHFFFAOYSA-N
MW461.38 g/mol
LogP4.52
Rot. Bonds5

About 4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide

4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide (PubChem CID 60607346) has the molecular formula C21H21BrN2O3S and a molecular weight of 461.38 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide
PubChem CID60607346
Molecular FormulaC21H21BrN2O3S
Molecular Weight461.38 g/mol
Exact Mass460.05
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H21BrN2O3S/c1-4-24(18-11-9-15-7-5-6-8-16(15)13-18)21(25)17-10-12-19(22)20(14-17)28(26,27)23(2)3/h5-14H,4H2,1-3H3
InChIKeyNOXCLQPIZPNMST-UHFFFAOYSA-N
XLogP4.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
CID 43011499
2-chloro-5-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide
CID 49338730
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 46798216
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9227114
phenyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 8765375
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26698316
2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide
CID 587064
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
3-amino-4-bromo-N-ethyl-N-phenylbenzamide
CID 61090191
4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43010416
4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide
CID 55594278
N-ethyl-3-methyl-N-naphthalen-2-yl-4-(tetrazol-1-yl)benzamide
CID 49338359

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide (CID 60607346) is 4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide is CCN(C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)c1ccc2ccccc2c1.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide?
The InChIKey is NOXCLQPIZPNMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O3S/c1-4-24(18-11-9-15-7-5-6-8-16(15)13-18)21(25)17-10-12-19(22)20(14-17)28(26,27)23(2)3/h5-14H,4H2,1-3H3.
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide?
4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide has a molecular weight of 461.38 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 60607346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).