N-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide

C14H21BrN4O3S — CID 34782547

IUPACN-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C14H21BrN4O3S/c1-17(2)23(21,22)19-9-7-18(8-10-19)11-14(20)16-13-6-4-3-5-12(13)15/h3-6H,7-11H2,1-2H3,(H,16,20)
InChIKeyZJRCIGDTJUQPFA-UHFFFAOYSA-N
MW405.32 g/mol
LogP0.81
Rot. Bonds5

About N-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide

N-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide (PubChem CID 34782547) has the molecular formula C14H21BrN4O3S and a molecular weight of 405.32 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
PubChem CID34782547
Molecular FormulaC14H21BrN4O3S
Molecular Weight405.32 g/mol
Exact Mass404.05
IUPAC NameN-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C14H21BrN4O3S/c1-17(2)23(21,22)19-9-7-18(8-10-19)11-14(20)16-13-6-4-3-5-12(13)15/h3-6H,7-11H2,1-2H3,(H,16,20)
InChIKeyZJRCIGDTJUQPFA-UHFFFAOYSA-N
XLogP0.81
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
CID 1095013
N-(2-bromophenyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
CID 17425960
N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930765
2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55627423
N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305227
N-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide
CID 24705814
N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673025
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 34781907
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55626263
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 34782989
2-[4-[2-(2-bromoanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735509

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide (CID 34782547) is N-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide is CN(C)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of N-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide?
The InChIKey is ZJRCIGDTJUQPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O3S/c1-17(2)23(21,22)19-9-7-18(8-10-19)11-14(20)16-13-6-4-3-5-12(13)15/h3-6H,7-11H2,1-2H3,(H,16,20).
What are the key properties of N-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide?
N-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide has a molecular weight of 405.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 34782547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).