(3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine

C14H19Cl2NO2S — CID 7749543

IUPAC(3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2S/c1-9-4-10(2)8-17(7-9)20(18,19)14-5-11(3)12(15)6-13(14)16/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyDXSQJGNHSSDCQD-UWVGGRQHSA-N
MW336.28 g/mol
LogP3.97
Rot. Bonds2

About (3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine

(3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 7749543) has the molecular formula C14H19Cl2NO2S and a molecular weight of 336.28 g/mol. Its IUPAC name is (3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine
PubChem CID7749543
Molecular FormulaC14H19Cl2NO2S
Molecular Weight336.28 g/mol
Exact Mass335.05
IUPAC Name(3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine
SMILESCc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO2S/c1-9-4-10(2)8-17(7-9)20(18,19)14-5-11(3)12(15)6-13(14)16/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyDXSQJGNHSSDCQD-UWVGGRQHSA-N
XLogP3.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7314523
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 11841663
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 43845453
1-(2-chloro-4-methylphenyl)sulfonyl-5-methylpiperidin-3-amine
CID 79992997
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
(3S,5S)-3,5-dimethyl-1-(2,3,4-trichlorophenyl)sulfonylpiperidine
CID 124680623
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
CID 43097472
1-(2-chloro-5-nitrophenyl)sulfonyl-3,5-dimethylpiperidine
CID 43389412
3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248183
5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 121098877
4-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155731
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18228816

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of (3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine (CID 7749543) is (3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for (3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for (3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine is Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(Cl)cc1Cl.
What is the InChIKey of (3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is DXSQJGNHSSDCQD-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H19Cl2NO2S/c1-9-4-10(2)8-17(7-9)20(18,19)14-5-11(3)12(15)6-13(14)16/h5-6,9-10H,4,7-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine?
(3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 336.28 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-(2,4-dichloro-5-methylphenyl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 7749543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).