(2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine

C13H17Cl2NO3S — CID 802910

IUPAC(2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
SMILESCOc1c(S(=O)(=O)N2CCCC[C@H]2C)ccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-9-5-3-4-8-16(9)20(17,18)11-7-6-10(14)12(15)13(11)19-2/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1
InChIKeyBMENQJYPSULLHQ-SECBINFHSA-N
MW338.26 g/mol
LogP3.57
Rot. Bonds3

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

(2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine (PubChem CID 802910) has the molecular formula C13H17Cl2NO3S and a molecular weight of 338.26 g/mol. Its IUPAC name is (2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine.

Molecular Properties

Compound Name(2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
PubChem CID802910
Molecular FormulaC13H17Cl2NO3S
Molecular Weight338.26 g/mol
Exact Mass337.03
IUPAC Name(2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
SMILESCOc1c(S(=O)(=O)N2CCCC[C@H]2C)ccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO3S/c1-9-5-3-4-8-16(9)20(17,18)11-7-6-10(14)12(15)13(11)19-2/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1
InChIKeyBMENQJYPSULLHQ-SECBINFHSA-N
XLogP3.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine
CID 47071466
(2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 98212078
1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 25248844
1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine
CID 19682578
(2S)-1-(4-fluoro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 870139
4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 50876448
(2R)-1-(4-ethoxynaphthalen-1-yl)sulfonyl-2-methylpiperidine
CID 760946
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-2-methylpiperidine
CID 66485991
1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine
CID 3758298
4-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 54898052
1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylazepane
CID 106612325

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine?
The IUPAC name of (2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine (CID 802910) is (2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine.
What is the SMILES notation for (2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine?
The canonical SMILES for (2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine is COc1c(S(=O)(=O)N2CCCC[C@H]2C)ccc(Cl)c1Cl.
What is the InChIKey of (2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine?
The InChIKey is BMENQJYPSULLHQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H17Cl2NO3S/c1-9-5-3-4-8-16(9)20(17,18)11-7-6-10(14)12(15)13(11)19-2/h6-7,9H,3-5,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine?
(2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine has a molecular weight of 338.26 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine is sourced from PubChem (CID 802910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).