1-(2,5-dibromophenyl)sulfonyl-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide

C15H20Br2N2O4S — CID 112818194

IUPAC1-(2,5-dibromophenyl)sulfonyl-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide
SMILESCC(CO)NC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C15H20Br2N2O4S/c1-10(9-20)18-15(21)11-4-6-19(7-5-11)24(22,23)14-8-12(16)2-3-13(14)17/h2-3,8,10-11,20H,4-7,9H2,1H3,(H,18,21)
InChIKeyXHIYJRWXOONWDG-UHFFFAOYSA-N
MW484.21 g/mol
LogP2.11
Rot. Bonds5

About 1-(2,5-dibromophenyl)sulfonyl-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide

1-(2,5-dibromophenyl)sulfonyl-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide (PubChem CID 112818194) has the molecular formula C15H20Br2N2O4S and a molecular weight of 484.21 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)sulfonyl-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)sulfonyl-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide
PubChem CID112818194
Molecular FormulaC15H20Br2N2O4S
Molecular Weight484.21 g/mol
Exact Mass481.95
IUPAC Name1-(2,5-dibromophenyl)sulfonyl-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide
SMILESCC(CO)NC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C15H20Br2N2O4S/c1-10(9-20)18-15(21)11-4-6-19(7-5-11)24(22,23)14-8-12(16)2-3-13(14)17/h2-3,8,10-11,20H,4-7,9H2,1H3,(H,18,21)
InChIKeyXHIYJRWXOONWDG-UHFFFAOYSA-N
XLogP2.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,5-dibromophenyl)sulfonylpiperidin-4-yl]ethanone
CID 63846251
1-(2,5-dibromophenyl)sulfonyl-4-ethylpiperidine
CID 47306024
1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol
CID 43394309
1-(2,5-dibromophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030797
N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 113002892
1-(2,5-dichlorophenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 3157096
1-[(4-bromophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 28569428
1-[(3-bromophenyl)methylsulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 43876056
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-(2,5-dibromophenyl)sulfonylpiperidine-4-carboxamide
CID 166353516
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 28551095
1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 60640129
N-[(2S)-butan-2-yl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 41447264

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)sulfonyl-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dibromophenyl)sulfonyl-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide (CID 112818194) is 1-(2,5-dibromophenyl)sulfonyl-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dibromophenyl)sulfonyl-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dibromophenyl)sulfonyl-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide is CC(CO)NC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2Br)CC1.
What is the InChIKey of 1-(2,5-dibromophenyl)sulfonyl-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide?
The InChIKey is XHIYJRWXOONWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N2O4S/c1-10(9-20)18-15(21)11-4-6-19(7-5-11)24(22,23)14-8-12(16)2-3-13(14)17/h2-3,8,10-11,20H,4-7,9H2,1H3,(H,18,21).
What are the key properties of 1-(2,5-dibromophenyl)sulfonyl-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide?
1-(2,5-dibromophenyl)sulfonyl-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide has a molecular weight of 484.21 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)sulfonyl-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 112818194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).