[4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol

C12H17BrN2O3S — CID 55134101

IUPAC[4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
SMILESCS(=O)(=O)N1CCN(c2cc(Br)ccc2CO)CC1
InChIInChI=1S/C12H17BrN2O3S/c1-19(17,18)15-6-4-14(5-7-15)12-8-11(13)3-2-10(12)9-16/h2-3,8,16H,4-7,9H2,1H3
InChIKeyAJVMBXLBQJJCFU-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.02
Rot. Bonds3

About [4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol

[4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol (PubChem CID 55134101) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is [4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
PubChem CID55134101
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name[4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
SMILESCS(=O)(=O)N1CCN(c2cc(Br)ccc2CO)CC1
InChIInChI=1S/C12H17BrN2O3S/c1-19(17,18)15-6-4-14(5-7-15)12-8-11(13)3-2-10(12)9-16/h2-3,8,16H,4-7,9H2,1H3
InChIKeyAJVMBXLBQJJCFU-UHFFFAOYSA-N
XLogP1.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-methylsulfonylpiperazin-1-yl)benzoic acid
CID 114895756
1-[4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 82968374
1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol
CID 43365039
[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81237350
[4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol
CID 114411385
[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
CID 62993803
[4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
CID 61242440
1-[5-bromo-2-(bromomethyl)phenyl]-4-methylpiperazine
CID 107078956
[4-bromo-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanol
CID 81199227
1-[4-(bromomethyl)-3-chlorophenyl]-4-methylsulfonylpiperazine
CID 114064433
(5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 17249306
[4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960035

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol?
The IUPAC name of [4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol (CID 55134101) is [4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol.
What is the SMILES notation for [4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol?
The canonical SMILES for [4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol is CS(=O)(=O)N1CCN(c2cc(Br)ccc2CO)CC1.
What is the InChIKey of [4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol?
The InChIKey is AJVMBXLBQJJCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-19(17,18)15-6-4-14(5-7-15)12-8-11(13)3-2-10(12)9-16/h2-3,8,16H,4-7,9H2,1H3.
What are the key properties of [4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol?
[4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol has a molecular weight of 349.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol is sourced from PubChem (CID 55134101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).