4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine

C13H18ClNO4S — CID 47387477

IUPAC4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2(C)C)cc1Cl
InChIInChI=1S/C13H18ClNO4S/c1-13(2)9-19-7-6-15(13)20(16,17)10-4-5-12(18-3)11(14)8-10/h4-5,8H,6-7,9H2,1-3H3
InChIKeyPLLVHFYOVUEWIE-UHFFFAOYSA-N
MW319.81 g/mol
LogP2.15
Rot. Bonds3

About 4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine

4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine (PubChem CID 47387477) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
PubChem CID47387477
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC Name4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2(C)C)cc1Cl
InChIInChI=1S/C13H18ClNO4S/c1-13(2)9-19-7-6-15(13)20(16,17)10-4-5-12(18-3)11(14)8-10/h4-5,8H,6-7,9H2,1-3H3
InChIKeyPLLVHFYOVUEWIE-UHFFFAOYSA-N
XLogP2.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine
CID 112507401
5-(3,3-dimethylmorpholin-4-yl)sulfonyl-2-methoxybenzamide
CID 146024510
4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
CID 112507393
[2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
CID 107090677
1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione
CID 112507427
3,3-dimethyl-4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]morpholine
CID 154794697
4-(3,3-dimethylmorpholin-4-yl)sulfonyl-2-(trifluoromethyl)benzoic acid
CID 146132870
4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721471
1-(3-chloro-4-methoxyphenyl)sulfonyl-3-methylpiperidin-3-ol
CID 115872336
1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol
CID 61428098
1-(3-chloro-4-methoxyphenyl)sulfonyl-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 163314944
5-(3,3-dimethylmorpholin-4-yl)sulfonyl-2-fluorobenzenecarbothioamide
CID 63289053

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine (CID 47387477) is 4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine is COc1ccc(S(=O)(=O)N2CCOCC2(C)C)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine?
The InChIKey is PLLVHFYOVUEWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c1-13(2)9-19-7-6-15(13)20(16,17)10-4-5-12(18-3)11(14)8-10/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine?
4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine has a molecular weight of 319.81 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine is sourced from PubChem (CID 47387477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).