1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperidine

C12H15Cl2NO2S — CID 2806415

IUPAC1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperidine
SMILESCC1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C12H15Cl2NO2S/c1-9-3-2-6-15(8-9)18(16,17)12-7-10(13)4-5-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyXTRHTVZAXYPHKZ-UHFFFAOYSA-N
MW308.23 g/mol
LogP3.41
Rot. Bonds2

About 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperidine

1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperidine (PubChem CID 2806415) has the molecular formula C12H15Cl2NO2S and a molecular weight of 308.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperidine
PubChem CID2806415
Molecular FormulaC12H15Cl2NO2S
Molecular Weight308.23 g/mol
Exact Mass307.02
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperidine
SMILESCC1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C12H15Cl2NO2S/c1-9-3-2-6-15(8-9)18(16,17)12-7-10(13)4-5-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyXTRHTVZAXYPHKZ-UHFFFAOYSA-N
XLogP3.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 1-[(2,5-dichlorophenyl)sulfonyl]-
CID 646492
1-[(2,5-Dichlorophenyl)sulfonyl]pyrrolidine
CID 767694
1-[(4-Chlorophenyl)sulfonyl]-3-methylpiperidine
CID 2842964
1-[(4-Chlorophenyl)sulfonyl]-3-(trifluoromethyl)piperidine
CID 2927924
1-(4-Chlorophenylsulfonyl)-4-methylpiperidine
CID 310129
1-[(2,3-Dichlorophenyl)sulfonyl]piperidine
CID 691910
1-(4-Chlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 2842536
3-[4-(2,5-Dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 2576672
1-(2,5-Dichloro benzene)-sulfonyl-cis-2,6-dimethyl piperidine
CID 44245424
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160
2,5-dichloro-N,N-dimethylbenzenesulfonamide
CID 779173
Piperidine, 1-[(4-chlorophenyl)sulfonyl]-
CID 965266

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperidine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperidine (CID 2806415) is 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperidine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperidine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperidine is CC1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperidine?
The InChIKey is XTRHTVZAXYPHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2S/c1-9-3-2-6-15(8-9)18(16,17)12-7-10(13)4-5-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperidine?
1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperidine has a molecular weight of 308.23 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperidine is sourced from PubChem (CID 2806415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).