4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide

C15H15BrN2O3S — CID 47051930

IUPAC4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H15BrN2O3S/c1-2-22(20,21)18-14-9-7-13(8-10-14)17-15(19)11-3-5-12(16)6-4-11/h3-10,18H,2H2,1H3,(H,17,19)
InChIKeyWHTBYTBHUNJYTK-UHFFFAOYSA-N
MW383.27 g/mol
LogP3.46
Rot. Bonds5

About 4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide

4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide (PubChem CID 47051930) has the molecular formula C15H15BrN2O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is 4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide
PubChem CID47051930
Molecular FormulaC15H15BrN2O3S
Molecular Weight383.27 g/mol
Exact Mass382.00
IUPAC Name4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H15BrN2O3S/c1-2-22(20,21)18-14-9-7-13(8-10-14)17-15(19)11-3-5-12(16)6-4-11/h3-10,18H,2H2,1H3,(H,17,19)
InChIKeyWHTBYTBHUNJYTK-UHFFFAOYSA-N
XLogP3.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzamide
CID 92643113
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N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
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N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
2-benzamido-N-[4-(ethylsulfonylamino)phenyl]benzamide
CID 55960852
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330
4-bromo-N-(4-butan-2-ylphenyl)benzamide
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4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
CID 109043765

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide (CID 47051930) is 4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide is CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide?
The InChIKey is WHTBYTBHUNJYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S/c1-2-22(20,21)18-14-9-7-13(8-10-14)17-15(19)11-3-5-12(16)6-4-11/h3-10,18H,2H2,1H3,(H,17,19).
What are the key properties of 4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide?
4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide has a molecular weight of 383.27 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(ethylsulfonylamino)phenyl]benzamide is sourced from PubChem (CID 47051930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).