1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol

C11H14Br2N2O3S — CID 43502745

IUPAC1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol
SMILESNc1cc(Br)c(S(=O)(=O)N2CCCC(O)C2)c(Br)c1
InChIInChI=1S/C11H14Br2N2O3S/c12-9-4-7(14)5-10(13)11(9)19(17,18)15-3-1-2-8(16)6-15/h4-5,8,16H,1-3,6,14H2
InChIKeyAXDZIQKJUQIHOW-UHFFFAOYSA-N
MW414.12 g/mol
LogP1.94
Rot. Bonds2

About 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol

1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol (PubChem CID 43502745) has the molecular formula C11H14Br2N2O3S and a molecular weight of 414.12 g/mol. Its IUPAC name is 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol
PubChem CID43502745
Molecular FormulaC11H14Br2N2O3S
Molecular Weight414.12 g/mol
Exact Mass411.91
IUPAC Name1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol
SMILESNc1cc(Br)c(S(=O)(=O)N2CCCC(O)C2)c(Br)c1
InChIInChI=1S/C11H14Br2N2O3S/c12-9-4-7(14)5-10(13)11(9)19(17,18)15-3-1-2-8(16)6-15/h4-5,8,16H,1-3,6,14H2
InChIKeyAXDZIQKJUQIHOW-UHFFFAOYSA-N
XLogP1.94
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.12
LogP ≤ 51.94
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)sulfonylpiperidine-3-carboxamide
CID 43257284
(3S)-1-(3-amino-4-bromophenyl)sulfonylpiperidin-3-ol
CID 107213789
(3S)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213869
1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol
CID 106491404
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidin-3-ol
CID 3867017
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55133971
(3S)-1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-3-ol
CID 93084326
1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55021128
(3S)-1-(4-bromo-2-chlorophenyl)sulfonylpiperidin-3-ol
CID 107225177
3-amino-4-(3-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 81470671
1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 65020834
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-ol
CID 43502998

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol?
The IUPAC name of 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol (CID 43502745) is 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol is Nc1cc(Br)c(S(=O)(=O)N2CCCC(O)C2)c(Br)c1.
What is the InChIKey of 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol?
The InChIKey is AXDZIQKJUQIHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O3S/c12-9-4-7(14)5-10(13)11(9)19(17,18)15-3-1-2-8(16)6-15/h4-5,8,16H,1-3,6,14H2.
What are the key properties of 1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol?
1-(4-amino-2,6-dibromophenyl)sulfonylpiperidin-3-ol has a molecular weight of 414.12 g/mol, XLogP of 1.94, 2 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)sulfonylpiperidin-3-ol is sourced from PubChem (CID 43502745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).