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

C12H15Cl2NO2S — CID 21364435

IUPAC1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO2S/c1-9-4-2-3-5-15(9)18(16,17)12-7-10(13)6-11(14)8-12/h6-9H,2-5H2,1H3
InChIKeyLEOKMNMEWSQPQV-UHFFFAOYSA-N
MW308.23 g/mol
LogP3.56
Rot. Bonds2

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

1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine (PubChem CID 21364435) has the molecular formula C12H15Cl2NO2S and a molecular weight of 308.23 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
PubChem CID21364435
Molecular FormulaC12H15Cl2NO2S
Molecular Weight308.23 g/mol
Exact Mass307.02
IUPAC Name1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
SMILESCC1CCCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO2S/c1-9-4-2-3-5-15(9)18(16,17)12-7-10(13)6-11(14)8-12/h6-9H,2-5H2,1H3
InChIKeyLEOKMNMEWSQPQV-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperidin-2-amine
CID 107070785
2-methyl-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidine
CID 58733463
3-methyl-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43255635
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylazepane
CID 106612325
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
1-[4-chloro-3-(chloromethyl)-5-fluorophenyl]sulfonyl-2-methylazepane
CID 81451021
2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline
CID 55152333
2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43107737
1-[5-chloro-3-(chloromethyl)-2-methylphenyl]sulfonyl-2-methylpiperidine
CID 82884531
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260963

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine?
The IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine (CID 21364435) is 1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for 1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine is CC1CCCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine?
The InChIKey is LEOKMNMEWSQPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2S/c1-9-4-2-3-5-15(9)18(16,17)12-7-10(13)6-11(14)8-12/h6-9H,2-5H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine?
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine has a molecular weight of 308.23 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 21364435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).