1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol

C11H13Br2NO3S — CID 43394309

IUPAC1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cc(Br)ccc1Br)N1CCC(O)CC1
InChIInChI=1S/C11H13Br2NO3S/c12-8-1-2-10(13)11(7-8)18(16,17)14-5-3-9(15)4-6-14/h1-2,7,9,15H,3-6H2
InChIKeyJAFAYGHUDRZTJU-UHFFFAOYSA-N
MW399.10 g/mol
LogP2.36
Rot. Bonds2

About 1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol

1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol (PubChem CID 43394309) has the molecular formula C11H13Br2NO3S and a molecular weight of 399.10 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol
PubChem CID43394309
Molecular FormulaC11H13Br2NO3S
Molecular Weight399.10 g/mol
Exact Mass396.90
IUPAC Name1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cc(Br)ccc1Br)N1CCC(O)CC1
InChIInChI=1S/C11H13Br2NO3S/c12-8-1-2-10(13)11(7-8)18(16,17)14-5-3-9(15)4-6-14/h1-2,7,9,15H,3-6H2
InChIKeyJAFAYGHUDRZTJU-UHFFFAOYSA-N
XLogP2.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.10
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromophenyl)sulfonylazetidin-3-ol
CID 63106090
1-[1-(2,5-dibromophenyl)sulfonylpiperidin-4-yl]ethanone
CID 63846251
1-(2,5-dibromophenyl)sulfonyl-4-ethylpiperidine
CID 47306024
1-(2,5-dibromophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030797
1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 60640129
(3S)-1-(2-amino-5-bromophenyl)sulfonylpyrrolidin-3-ol
CID 107212123
4-bromo-3-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 55133099
4-bromo-3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
CID 94895660
1-(2,5-dibromophenyl)sulfonyl-N-(1-hydroxypropan-2-yl)piperidine-4-carboxamide
CID 112818194
1-(2-bromoethyl)-4-(2,5-dibromophenyl)sulfonylpiperazine
CID 80675604
4-(2,5-dibromophenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 52865075
1-(5-bromo-2-methylphenyl)sulfonyl-4-methylpiperidin-3-ol
CID 103896903

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol (CID 43394309) is 1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol is O=S(=O)(c1cc(Br)ccc1Br)N1CCC(O)CC1.
What is the InChIKey of 1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol?
The InChIKey is JAFAYGHUDRZTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO3S/c12-8-1-2-10(13)11(7-8)18(16,17)14-5-3-9(15)4-6-14/h1-2,7,9,15H,3-6H2.
What are the key properties of 1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol?
1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol has a molecular weight of 399.10 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 43394309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).