4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide

C11H14BrNO3S — CID 78924767

IUPAC4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO3S/c1-13(7-8-17(2,15)16)11(14)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyKRDOHLONXSNBAZ-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.57
Rot. Bonds4

About 4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide

4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide (PubChem CID 78924767) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide
PubChem CID78924767
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Name4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide
SMILESCN(CCS(C)(=O)=O)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO3S/c1-13(7-8-17(2,15)16)11(14)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyKRDOHLONXSNBAZ-UHFFFAOYSA-N
XLogP1.57
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-methyl-N-(2-methylsulfonylethyl)thiophene-3-carboxamide
CID 78924793
4-amino-3-chloro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79858160
N-[(4-bromophenyl)methyl]-N-methyl-4-methylsulfonylbenzamide
CID 9416389
4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide
CID 146272515
4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide
CID 115611577
2-amino-5-hydroxy-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107075641
3-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide
CID 79842599
4-bromo-N-(2-chloropropyl)-N-methylbenzamide
CID 63393521
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
3-(dimethylamino)-N-methyl-N-(3-methylsulfonylpropyl)benzamide
CID 84592083
5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 79859087
4-[[[methyl(2-methylsulfonylethyl)carbamoyl]amino]methyl]benzoic acid
CID 79845217

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The IUPAC name of 4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide (CID 78924767) is 4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide.
What is the SMILES notation for 4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The canonical SMILES for 4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide is CN(CCS(C)(=O)=O)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide?
The InChIKey is KRDOHLONXSNBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S/c1-13(7-8-17(2,15)16)11(14)9-3-5-10(12)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide?
4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide has a molecular weight of 320.21 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide is sourced from PubChem (CID 78924767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).