4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine

C13H17Cl2NO4S — CID 50876448

IUPAC4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1c(S(=O)(=O)N2CC(C)OC(C)C2)ccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO4S/c1-8-6-16(7-9(2)20-8)21(17,18)11-5-4-10(14)12(15)13(11)19-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyPEDGVPYLTPUEGF-UHFFFAOYSA-N
MW354.26 g/mol
LogP2.80
Rot. Bonds3

About 4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine

4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 50876448) has the molecular formula C13H17Cl2NO4S and a molecular weight of 354.26 g/mol. Its IUPAC name is 4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID50876448
Molecular FormulaC13H17Cl2NO4S
Molecular Weight354.26 g/mol
Exact Mass353.03
IUPAC Name4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1c(S(=O)(=O)N2CC(C)OC(C)C2)ccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO4S/c1-8-6-16(7-9(2)20-8)21(17,18)11-5-4-10(14)12(15)13(11)19-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyPEDGVPYLTPUEGF-UHFFFAOYSA-N
XLogP2.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 25248844
(2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 98212078
2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline
CID 104957703
4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 3154510
(2S,6R)-4-[5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylnaphthalen-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 27151755
4-(2,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 19682685
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
(2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 802910
[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol
CID 104961448
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 3851171
(3S,5S)-3,5-dimethyl-1-(2,3,4-trichlorophenyl)sulfonylpiperidine
CID 124680623
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine (CID 50876448) is 4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine is COc1c(S(=O)(=O)N2CC(C)OC(C)C2)ccc(Cl)c1Cl.
What is the InChIKey of 4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is PEDGVPYLTPUEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO4S/c1-8-6-16(7-9(2)20-8)21(17,18)11-5-4-10(14)12(15)13(11)19-3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 354.26 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 50876448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).