3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide

C21H27BrN2O3S — CID 4121831

IUPAC3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C21H27BrN2O3S/c1-3-5-14-24(15-6-4-2)28(26,27)20-12-10-19(11-13-20)23-21(25)17-8-7-9-18(22)16-17/h7-13,16H,3-6,14-15H2,1-2H3,(H,23,25)
InChIKeyQJORUCQIKUBGDZ-UHFFFAOYSA-N
MW467.43 g/mol
LogP5.29
Rot. Bonds10

About 3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide

3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide (PubChem CID 4121831) has the molecular formula C21H27BrN2O3S and a molecular weight of 467.43 g/mol. Its IUPAC name is 3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide
PubChem CID4121831
Molecular FormulaC21H27BrN2O3S
Molecular Weight467.43 g/mol
Exact Mass466.09
IUPAC Name3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C21H27BrN2O3S/c1-3-5-14-24(15-6-4-2)28(26,27)20-12-10-19(11-13-20)23-21(25)17-8-7-9-18(22)16-17/h7-13,16H,3-6,14-15H2,1-2H3,(H,23,25)
InChIKeyQJORUCQIKUBGDZ-UHFFFAOYSA-N
XLogP5.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.43
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dipropylsulfamoyl)phenyl]-3-iodobenzamide
CID 1294575
3-[[3-(dibutylsulfamoyl)benzoyl]amino]benzoic acid
CID 4240708
3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
3-bromo-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 54791626
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
3-[bis(2-hydroxyethyl)sulfamoyl]-N-(4-bromophenyl)benzamide
CID 1356047
N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564
N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
CID 109061485
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide
CID 7948721
3-(dipropylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26914144

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide (CID 4121831) is 3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide is CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide?
The InChIKey is QJORUCQIKUBGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O3S/c1-3-5-14-24(15-6-4-2)28(26,27)20-12-10-19(11-13-20)23-21(25)17-8-7-9-18(22)16-17/h7-13,16H,3-6,14-15H2,1-2H3,(H,23,25).
What are the key properties of 3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide?
3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide has a molecular weight of 467.43 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(dibutylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 4121831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).