2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide

C21H19BrN2O3S — CID 1015438

IUPAC2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C21H19BrN2O3S/c1-2-24(17-8-4-3-5-9-17)28(26,27)18-14-12-16(13-15-18)23-21(25)19-10-6-7-11-20(19)22/h3-15H,2H2,1H3,(H,23,25)
InChIKeyIVBNDGSXXCLZKA-UHFFFAOYSA-N
MW459.37 g/mol
LogP4.92
Rot. Bonds6

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

2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide (PubChem CID 1015438) has the molecular formula C21H19BrN2O3S and a molecular weight of 459.37 g/mol. Its IUPAC name is 2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
PubChem CID1015438
Molecular FormulaC21H19BrN2O3S
Molecular Weight459.37 g/mol
Exact Mass458.03
IUPAC Name2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C21H19BrN2O3S/c1-2-24(17-8-4-3-5-9-17)28(26,27)18-14-12-16(13-15-18)23-21(25)19-10-6-7-11-20(19)22/h3-15H,2H2,1H3,(H,23,25)
InChIKeyIVBNDGSXXCLZKA-UHFFFAOYSA-N
XLogP4.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1303320
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide
CID 1014272
2-(3-bromo-2-fluorophenyl)-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]acetamide
CID 146022702
5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 17349929
4-[ethyl(phenyl)sulfamoyl]-N-pyridin-4-ylbenzamide
CID 24980451
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide
CID 26163250
2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide
CID 2162853
1-(3-chlorophenyl)-3-[4-[ethyl(phenyl)sulfamoyl]phenyl]urea
CID 1226694
5-bromo-2-ethoxy-N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17353131
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide
CID 2344205
N-[[4-[ethyl(phenyl)sulfamoyl]phenyl]carbamothioyl]pentanamide
CID 2224207
N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 35727860

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide (CID 1015438) is 2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is IVBNDGSXXCLZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3S/c1-2-24(17-8-4-3-5-9-17)28(26,27)18-14-12-16(13-15-18)23-21(25)19-10-6-7-11-20(19)22/h3-15H,2H2,1H3,(H,23,25).
What are the key properties of 2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide?
2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 459.37 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1015438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).