4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide

C20H24BrN3O3S — CID 26520201

IUPAC4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2N2CCCCC2)ccc1Br
InChIInChI=1S/C20H24BrN3O3S/c1-23(2)28(26,27)19-14-15(10-11-16(19)21)20(25)22-17-8-4-5-9-18(17)24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,22,25)
InChIKeyNULJCHSAPNHLHS-UHFFFAOYSA-N
MW466.40 g/mol
LogP3.94
Rot. Bonds5

About 4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide

4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide (PubChem CID 26520201) has the molecular formula C20H24BrN3O3S and a molecular weight of 466.40 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
PubChem CID26520201
Molecular FormulaC20H24BrN3O3S
Molecular Weight466.40 g/mol
Exact Mass465.07
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2N2CCCCC2)ccc1Br
InChIInChI=1S/C20H24BrN3O3S/c1-23(2)28(26,27)19-14-15(10-11-16(19)21)20(25)22-17-8-4-5-9-18(17)24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,22,25)
InChIKeyNULJCHSAPNHLHS-UHFFFAOYSA-N
XLogP3.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 2426815
N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996637
4-[methyl(propan-2-yl)sulfamoyl]-N-(2-piperidin-1-ylphenyl)benzamide
CID 33314849
N-[2-(azepan-1-yl)phenyl]benzamide
CID 24652732
2-bromo-N-(2-piperidin-1-ylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26520197
N-[2-(azepan-1-yl)phenyl]-4-(methylsulfamoyl)benzamide
CID 38282895
3-acetamido-N-[2-(azepan-1-yl)phenyl]-4-methylbenzamide
CID 86998079
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
4-bromo-3,5-dihydroxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 3019649
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
3-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 4501683
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide (CID 26520201) is 4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2N2CCCCC2)ccc1Br.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide?
The InChIKey is NULJCHSAPNHLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3S/c1-23(2)28(26,27)19-14-15(10-11-16(19)21)20(25)22-17-8-4-5-9-18(17)24-12-6-3-7-13-24/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,22,25).
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide?
4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide has a molecular weight of 466.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 26520201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).