[1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol

C12H16Br2N2O3S — CID 43258861

IUPAC[1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol
SMILESNc1cc(Br)cc(Br)c1S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C12H16Br2N2O3S/c13-9-5-10(14)12(11(15)6-9)20(18,19)16-3-1-8(7-17)2-4-16/h5-6,8,17H,1-4,7,15H2
InChIKeyHESVHBXKPWSFHF-UHFFFAOYSA-N
MW428.15 g/mol
LogP2.19
Rot. Bonds3

About [1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol

[1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol (PubChem CID 43258861) has the molecular formula C12H16Br2N2O3S and a molecular weight of 428.15 g/mol. Its IUPAC name is [1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol
PubChem CID43258861
Molecular FormulaC12H16Br2N2O3S
Molecular Weight428.15 g/mol
Exact Mass425.92
IUPAC Name[1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol
SMILESNc1cc(Br)cc(Br)c1S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C12H16Br2N2O3S/c13-9-5-10(14)12(11(15)6-9)20(18,19)16-3-1-8(7-17)2-4-16/h5-6,8,17H,1-4,7,15H2
InChIKeyHESVHBXKPWSFHF-UHFFFAOYSA-N
XLogP2.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.15
LogP ≤ 52.19
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

3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline
CID 43256817
2-(azepan-1-ylsulfonyl)-3,5-dibromoaniline
CID 43257095
3,5-dibromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61219950
1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115964810
[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 60957920
[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43258860
3,5-dibromo-2-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43256908
[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]methanol
CID 80577698
[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 107326673
3,5-dibromo-2-(2,2-dimethylmorpholin-4-yl)sulfonylaniline
CID 43592467
[1-(2-amino-5-nitrophenyl)sulfonylpiperidin-4-yl]methanol
CID 62163311
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(chloromethyl)piperidine
CID 63400747

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol (CID 43258861) is [1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol is Nc1cc(Br)cc(Br)c1S(=O)(=O)N1CCC(CO)CC1.
What is the InChIKey of [1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol?
The InChIKey is HESVHBXKPWSFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O3S/c13-9-5-10(14)12(11(15)6-9)20(18,19)16-3-1-8(7-17)2-4-16/h5-6,8,17H,1-4,7,15H2.
What are the key properties of [1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol?
[1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol has a molecular weight of 428.15 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 43258861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).