5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

C17H18BrNO4S — CID 112813602

IUPAC5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C17H18BrNO4S/c1-11(12-4-7-14(8-5-12)24(3,22)23)19(2)17(21)15-10-13(18)6-9-16(15)20/h4-11,20H,1-3H3
InChIKeyVEGBHYWURZEXJZ-UHFFFAOYSA-N
MW412.31 g/mol
LogP3.39
Rot. Bonds4

About 5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 112813602) has the molecular formula C17H18BrNO4S and a molecular weight of 412.31 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID112813602
Molecular FormulaC17H18BrNO4S
Molecular Weight412.31 g/mol
Exact Mass411.01
IUPAC Name5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C17H18BrNO4S/c1-11(12-4-7-14(8-5-12)24(3,22)23)19(2)17(21)15-10-13(18)6-9-16(15)20/h4-11,20H,1-3H3
InChIKeyVEGBHYWURZEXJZ-UHFFFAOYSA-N
XLogP3.39
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
4-bromo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 55551487
2,4-difluoro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870193
N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide
CID 56684324
2,4-dibromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 107939270
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184
3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 34735400
N,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976164
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
2-iodo-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-nitrobenzamide
CID 55974409
N-[(4-bromophenyl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 46551617
6-bromo-N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2H-chromene-3-carboxamide
CID 30759506

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 112813602) is 5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is VEGBHYWURZEXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4S/c1-11(12-4-7-14(8-5-12)24(3,22)23)19(2)17(21)15-10-13(18)6-9-16(15)20/h4-11,20H,1-3H3.
What are the key properties of 5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 412.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 112813602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).