[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol

C14H19Cl2NO3S — CID 43574487

IUPAC[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)N2CCCCC2CO)c1Cl
InChIInChI=1S/C14H19Cl2NO3S/c1-9-7-12(15)10(2)14(13(9)16)21(19,20)17-6-4-3-5-11(17)8-18/h7,11,18H,3-6,8H2,1-2H3
InChIKeyIIVJNIRSJTXFJN-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.15
Rot. Bonds3

About [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol

[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol (PubChem CID 43574487) has the molecular formula C14H19Cl2NO3S and a molecular weight of 352.28 g/mol. Its IUPAC name is [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol
PubChem CID43574487
Molecular FormulaC14H19Cl2NO3S
Molecular Weight352.28 g/mol
Exact Mass351.05
IUPAC Name[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)N2CCCCC2CO)c1Cl
InChIInChI=1S/C14H19Cl2NO3S/c1-9-7-12(15)10(2)14(13(9)16)21(19,20)17-6-4-3-5-11(17)8-18/h7,11,18H,3-6,8H2,1-2H3
InChIKeyIIVJNIRSJTXFJN-UHFFFAOYSA-N
XLogP3.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43237860
[1-(2,6-dichlorophenyl)sulfonylazepan-2-yl]methanol
CID 116636713
[(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107328232
[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605278
3-[1-(2-chloro-6-methylphenyl)sulfonylpiperidin-2-yl]propan-1-ol
CID 59367770
[1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61410837
[(2S)-1-(2-amino-4,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212326
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
(1S)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 29346765
(1R)-2-(2,5-dichloro-3,6-dimethylphenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 29346767
3-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-2-yl]propanoic acid
CID 57436799
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260963

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol?
The IUPAC name of [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol (CID 43574487) is [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol is Cc1cc(Cl)c(C)c(S(=O)(=O)N2CCCCC2CO)c1Cl.
What is the InChIKey of [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol?
The InChIKey is IIVJNIRSJTXFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3S/c1-9-7-12(15)10(2)14(13(9)16)21(19,20)17-6-4-3-5-11(17)8-18/h7,11,18H,3-6,8H2,1-2H3.
What are the key properties of [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol?
[1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol has a molecular weight of 352.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dichloro-3,6-dimethylphenyl)sulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 43574487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).