(3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine

C12H15Cl2NO2S — CID 27210471

IUPAC(3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C12H15Cl2NO2S/c1-9-3-2-6-15(8-9)18(16,17)12-5-4-10(13)7-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m1/s1
InChIKeyMGQCUONCXFRCTM-SECBINFHSA-N
MW308.23 g/mol
LogP3.41
Rot. Bonds2

About (3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine

(3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine (PubChem CID 27210471) has the molecular formula C12H15Cl2NO2S and a molecular weight of 308.23 g/mol. Its IUPAC name is (3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine.

Molecular Properties

Compound Name(3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine
PubChem CID27210471
Molecular FormulaC12H15Cl2NO2S
Molecular Weight308.23 g/mol
Exact Mass307.02
IUPAC Name(3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine
SMILESC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C12H15Cl2NO2S/c1-9-3-2-6-15(8-9)18(16,17)12-5-4-10(13)7-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m1/s1
InChIKeyMGQCUONCXFRCTM-SECBINFHSA-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

4-chloro-2-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 22748532
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
1-(4-bromo-2-chlorophenyl)sulfonyl-4-methylazepane
CID 62044969
2,6-difluoro-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107342987
[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 134374890
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
3-fluoro-4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 79187207
3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43257079
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43095930

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine?
The IUPAC name of (3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine (CID 27210471) is (3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine.
What is the SMILES notation for (3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine?
The canonical SMILES for (3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine is C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine?
The InChIKey is MGQCUONCXFRCTM-SECBINFHSA-N. The full InChI is InChI=1S/C12H15Cl2NO2S/c1-9-3-2-6-15(8-9)18(16,17)12-5-4-10(13)7-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine?
(3R)-1-(2,4-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 (3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine is sourced from PubChem (CID 27210471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).