1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol

C12H15Cl2NO3S — CID 81103333

IUPAC1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C12H15Cl2NO3S/c1-12(16)5-7-15(8-6-12)19(17,18)10-4-2-3-9(13)11(10)14/h2-4,16H,5-8H2,1H3
InChIKeyIGNICMNIDPMDNB-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.53
Rot. Bonds2

About 1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol

1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol (PubChem CID 81103333) has the molecular formula C12H15Cl2NO3S and a molecular weight of 324.23 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol
PubChem CID81103333
Molecular FormulaC12H15Cl2NO3S
Molecular Weight324.23 g/mol
Exact Mass323.01
IUPAC Name1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C12H15Cl2NO3S/c1-12(16)5-7-15(8-6-12)19(17,18)10-4-2-3-9(13)11(10)14/h2-4,16H,5-8H2,1H3
InChIKeyIGNICMNIDPMDNB-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103524
1-(2,3-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepane chloride
CID 53350610
4-chloro-3-(4-hydroxy-4-methylpiperidin-1-yl)sulfonylbenzaldehyde
CID 130254720
4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
CID 104773938
1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81104027
1-(2,3-dichlorophenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
CID 6736955
1-[[2-(ethylamino)-3-pyridinyl]sulfonyl]-4-methylpiperidin-4-ol
CID 81108237
2-(4-hydroxy-4-methylazepan-1-yl)sulfonylbenzenecarbothioamide
CID 107404607
1-(3-chloro-2-methylphenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63149607
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
2-(4,4-dimethylpiperidin-1-yl)sulfonylphenol
CID 81245578
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol (CID 81103333) is 1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol is CC1(O)CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol?
The InChIKey is IGNICMNIDPMDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3S/c1-12(16)5-7-15(8-6-12)19(17,18)10-4-2-3-9(13)11(10)14/h2-4,16H,5-8H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol?
1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol has a molecular weight of 324.23 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol is sourced from PubChem (CID 81103333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).