1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide

C12H15Br2N3O3S — CID 43257284

IUPAC1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2c(Br)cc(N)cc2Br)C1
InChIInChI=1S/C12H15Br2N3O3S/c13-9-4-8(15)5-10(14)11(9)21(19,20)17-3-1-2-7(6-17)12(16)18/h4-5,7H,1-3,6,15H2,(H2,16,18)
InChIKeyOOBYTADBXNWDNA-UHFFFAOYSA-N
MW441.15 g/mol
LogP1.68
Rot. Bonds3

About 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide

1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 43257284) has the molecular formula C12H15Br2N3O3S and a molecular weight of 441.15 g/mol. Its IUPAC name is 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID43257284
Molecular FormulaC12H15Br2N3O3S
Molecular Weight441.15 g/mol
Exact Mass438.92
IUPAC Name1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2c(Br)cc(N)cc2Br)C1
InChIInChI=1S/C12H15Br2N3O3S/c13-9-4-8(15)5-10(14)11(9)21(19,20)17-3-1-2-7(6-17)12(16)18/h4-5,7H,1-3,6,15H2,(H2,16,18)
InChIKeyOOBYTADBXNWDNA-UHFFFAOYSA-N
XLogP1.68
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.15
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol
CID 43502745
(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 94017405
1-sulfamoylpiperidine-3-carboxamide
CID 43132049
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide
CID 43257281
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 47149029
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide
CID 54895620
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 18086440
1-(3-amino-5-sulfamoylphenyl)piperidine-3-carboxamide
CID 60988108
1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2985818

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide (CID 43257284) is 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide is NC(=O)C1CCCN(S(=O)(=O)c2c(Br)cc(N)cc2Br)C1.
What is the InChIKey of 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is OOBYTADBXNWDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N3O3S/c13-9-4-8(15)5-10(14)11(9)21(19,20)17-3-1-2-7(6-17)12(16)18/h4-5,7H,1-3,6,15H2,(H2,16,18).
What are the key properties of 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide?
1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 441.15 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43257284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).