4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide

C21H19BrN2O3S — CID 5049971

IUPAC4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C21H19BrN2O3S/c22-18-8-6-17(7-9-18)21(25)24-19-10-12-20(13-11-19)28(26,27)23-15-14-16-4-2-1-3-5-16/h1-13,23H,14-15H2,(H,24,25)
InChIKeyUXCCKONOSCATSJ-UHFFFAOYSA-N
MW459.37 g/mol
LogP4.22
Rot. Bonds7

About 4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide

4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide (PubChem CID 5049971) has the molecular formula C21H19BrN2O3S and a molecular weight of 459.37 g/mol. Its IUPAC name is 4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
PubChem CID5049971
Molecular FormulaC21H19BrN2O3S
Molecular Weight459.37 g/mol
Exact Mass458.03
IUPAC Name4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C21H19BrN2O3S/c22-18-8-6-17(7-9-18)21(25)24-19-10-12-20(13-11-19)28(26,27)23-15-14-16-4-2-1-3-5-16/h1-13,23H,14-15H2,(H,24,25)
InChIKeyUXCCKONOSCATSJ-UHFFFAOYSA-N
XLogP4.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4110983
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4956301
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109061048
4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17309261
4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253
4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4936114
2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5173418
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4288383
N-[3-oxo-3-[4-(2-phenylethylsulfamoyl)anilino]propyl]benzamide
CID 17154573

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide (CID 5049971) is 4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
The InChIKey is UXCCKONOSCATSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3S/c22-18-8-6-17(7-9-18)21(25)24-19-10-12-20(13-11-19)28(26,27)23-15-14-16-4-2-1-3-5-16/h1-13,23H,14-15H2,(H,24,25).
What are the key properties of 4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide?
4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide has a molecular weight of 459.37 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 5049971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).