[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol

C12H17ClN2O3S — CID 62993803

IUPAC[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
SMILESCS(=O)(=O)N1CCN(c2cccc(Cl)c2CO)CC1
InChIInChI=1S/C12H17ClN2O3S/c1-19(17,18)15-7-5-14(6-8-15)12-4-2-3-11(13)10(12)9-16/h2-4,16H,5-9H2,1H3
InChIKeyMTENFDREXRHNTQ-UHFFFAOYSA-N
MW304.80 g/mol
LogP0.91
Rot. Bonds3

About [2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol

[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol (PubChem CID 62993803) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is [2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
PubChem CID62993803
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
SMILESCS(=O)(=O)N1CCN(c2cccc(Cl)c2CO)CC1
InChIInChI=1S/C12H17ClN2O3S/c1-19(17,18)15-7-5-14(6-8-15)12-4-2-3-11(13)10(12)9-16/h2-4,16H,5-9H2,1H3
InChIKeyMTENFDREXRHNTQ-UHFFFAOYSA-N
XLogP0.91
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-6-thiomorpholin-4-ylphenyl)methanol
CID 43121109
1-(3-chloro-2-nitrophenyl)-4-methylsulfonylpiperazine
CID 104839007
[2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol
CID 62774618
[2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol
CID 43586235
[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol
CID 55050268
[2-chloro-6-(4-ethoxypiperidin-1-yl)phenyl]methanol
CID 61221101
[4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
CID 55134101
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-4-yl]acetamide
CID 54989374
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-chlorophenyl]methanol
CID 43620553
[2-chloro-6-[(1-methylsulfonylpiperidin-3-yl)methoxy]phenyl]methanol
CID 114320416
[2-chloro-6-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methanol
CID 28945706
2-amino-3-(4-methylsulfonylpiperazin-1-yl)benzoic acid
CID 115546018

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol?
The IUPAC name of [2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol (CID 62993803) is [2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol.
What is the SMILES notation for [2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol?
The canonical SMILES for [2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol is CS(=O)(=O)N1CCN(c2cccc(Cl)c2CO)CC1.
What is the InChIKey of [2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol?
The InChIKey is MTENFDREXRHNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-19(17,18)15-7-5-14(6-8-15)12-4-2-3-11(13)10(12)9-16/h2-4,16H,5-9H2,1H3.
What are the key properties of [2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol?
[2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol has a molecular weight of 304.80 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol is sourced from PubChem (CID 62993803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).