2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide

C21H27BrN2O3S — CID 26515577

IUPAC2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C21H27BrN2O3S/c1-6-24(7-2)28(26,27)15-12-13-18(22)16(14-15)20(25)23-19-11-9-8-10-17(19)21(3,4)5/h8-14H,6-7H2,1-5H3,(H,23,25)
InChIKeyRYDFMMVHAPBMDP-UHFFFAOYSA-N
MW467.43 g/mol
LogP5.03
Rot. Bonds6

About 2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide

2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide (PubChem CID 26515577) has the molecular formula C21H27BrN2O3S and a molecular weight of 467.43 g/mol. Its IUPAC name is 2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide
PubChem CID26515577
Molecular FormulaC21H27BrN2O3S
Molecular Weight467.43 g/mol
Exact Mass466.09
IUPAC Name2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C21H27BrN2O3S/c1-6-24(7-2)28(26,27)15-12-13-18(22)16(14-15)20(25)23-19-11-9-8-10-17(19)21(3,4)5/h8-14H,6-7H2,1-5H3,(H,23,25)
InChIKeyRYDFMMVHAPBMDP-UHFFFAOYSA-N
XLogP5.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(dimethylsulfamoyl)-N-(2-ethylphenyl)benzamide
CID 8839427
3-(anilinocarbamoyl)-4-bromo-N,N-diethylbenzenesulfonamide
CID 86932912
N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide
CID 9296732
2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1303320
2-bromo-5-(diethylsulfamoyl)benzoate
CID 3668554
5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide
CID 26087674
N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 26524150
2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide
CID 9214228
5-(diethylsulfamoyl)-N-(2-methoxyphenyl)-2-methylbenzamide
CID 2994373
N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide
CID 30099721
N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2670785
2-bromo-5-(diethylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 43006202

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide?
The IUPAC name of 2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide (CID 26515577) is 2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccccc2C(C)(C)C)c1.
What is the InChIKey of 2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide?
The InChIKey is RYDFMMVHAPBMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O3S/c1-6-24(7-2)28(26,27)15-12-13-18(22)16(14-15)20(25)23-19-11-9-8-10-17(19)21(3,4)5/h8-14H,6-7H2,1-5H3,(H,23,25).
What are the key properties of 2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide?
2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide has a molecular weight of 467.43 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-tert-butylphenyl)-5-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 26515577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).