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

C17H19BrN2O3S — CID 1303320

IUPAC2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-3-20(4-2)24(22,23)14-11-9-13(10-12-14)19-17(21)15-7-5-6-8-16(15)18/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyBDCCEONTXRGODF-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.73
Rot. Bonds6

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

2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide (PubChem CID 1303320) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide
PubChem CID1303320
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-3-20(4-2)24(22,23)14-11-9-13(10-12-14)19-17(21)15-7-5-6-8-16(15)18/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyBDCCEONTXRGODF-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1015438
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-bromobenzoate
CID 2624031
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
N-[4-(diethylsulfamoyl)phenyl]-2,3-dimethylbenzamide
CID 9415963
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide
CID 1014272
N-[4-(diethylsulfamoyl)phenyl]-2-phenoxybenzamide
CID 1214319
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 4940978
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945399
2-bromo-N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 5007269
2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide
CID 2162853
7-bromo-N-[4-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38887772

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide (CID 1303320) is 2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide?
The InChIKey is BDCCEONTXRGODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-3-20(4-2)24(22,23)14-11-9-13(10-12-14)19-17(21)15-7-5-6-8-16(15)18/h5-12H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide?
2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide has a molecular weight of 411.32 g/mol, XLogP of 3.73, 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-(diethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1303320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).