2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide

C15H18BrN3O4S — CID 55735167

IUPAC2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H18BrN3O4S/c16-11-1-5-13(6-2-11)24(22,23)19-9-7-18(8-10-19)15(21)14(20)17-12-3-4-12/h1-2,5-6,12H,3-4,7-10H2,(H,17,20)
InChIKeyPABAMKAPAJBZHH-UHFFFAOYSA-N
MW416.30 g/mol
LogP0.56
Rot. Bonds3

About 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide (PubChem CID 55735167) has the molecular formula C15H18BrN3O4S and a molecular weight of 416.30 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
PubChem CID55735167
Molecular FormulaC15H18BrN3O4S
Molecular Weight416.30 g/mol
Exact Mass415.02
IUPAC Name2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H18BrN3O4S/c16-11-1-5-13(6-2-11)24(22,23)19-9-7-18(8-10-19)15(21)14(20)17-12-3-4-12/h1-2,5-6,12H,3-4,7-10H2,(H,17,20)
InChIKeyPABAMKAPAJBZHH-UHFFFAOYSA-N
XLogP0.56
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide
CID 108562846
(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
CID 41302436
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide
CID 35400948
2-[4-[2-(4-bromoanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 60512931
1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid
CID 737843
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone
CID 24654557
1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea
CID 3339972
2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 29133699
1-(4-bromophenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 24606231
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 17461395
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
N-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 6470268

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
The IUPAC name of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide (CID 55735167) is 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide.
What is the SMILES notation for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
The canonical SMILES for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide is O=C(NC1CC1)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
The InChIKey is PABAMKAPAJBZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O4S/c16-11-1-5-13(6-2-11)24(22,23)19-9-7-18(8-10-19)15(21)14(20)17-12-3-4-12/h1-2,5-6,12H,3-4,7-10H2,(H,17,20).
What are the key properties of 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide?
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide has a molecular weight of 416.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide is sourced from PubChem (CID 55735167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).