N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide

C21H19BrN2O3S — CID 35727860

IUPACN-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C21H19BrN2O3S/c1-2-24(17-10-4-3-5-11-17)28(26,27)18-12-8-9-16(15-18)21(25)23-20-14-7-6-13-19(20)22/h3-15H,2H2,1H3,(H,23,25)
InChIKeyOMZVBJIOWGKVEK-UHFFFAOYSA-N
MW459.37 g/mol
LogP4.92
Rot. Bonds6

About N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide

N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 35727860) has the molecular formula C21H19BrN2O3S and a molecular weight of 459.37 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID35727860
Molecular FormulaC21H19BrN2O3S
Molecular Weight459.37 g/mol
Exact Mass458.03
IUPAC NameN-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C21H19BrN2O3S/c1-2-24(17-10-4-3-5-11-17)28(26,27)18-12-8-9-16(15-18)21(25)23-20-14-7-6-13-19(20)22/h3-15H,2H2,1H3,(H,23,25)
InChIKeyOMZVBJIOWGKVEK-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

N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 26524233
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 26914975
3-[ethyl(phenyl)sulfamoyl]-N-(2-propoxyphenyl)benzamide
CID 112793585
N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 34830846
N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 9165805
N-ethyl-3-[[(4-methylbenzoyl)amino]carbamoyl]-N-phenylbenzenesulfonamide
CID 2421051
3-[ethyl(phenyl)sulfamoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55382613
N-(2-bromophenyl)-5-[ethyl-(3-methylphenyl)sulfamoyl]-2-fluorobenzamide
CID 4119863
N-(3-aminopropyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 119405879
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 55532858
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
3-[ethyl(phenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
CID 55510278

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide (CID 35727860) is N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is OMZVBJIOWGKVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3S/c1-2-24(17-10-4-3-5-11-17)28(26,27)18-12-8-9-16(15-18)21(25)23-20-14-7-6-13-19(20)22/h3-15H,2H2,1H3,(H,23,25).
What are the key properties of N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide?
N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]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 N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 35727860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).