4-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine

C15H22ClNO4S — CID 3154513

IUPAC4-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1cc(C)c(Cl)c(C)c1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C15H22ClNO4S/c1-9-6-13(20-5)15(12(4)14(9)16)22(18,19)17-7-10(2)21-11(3)8-17/h6,10-11H,7-8H2,1-5H3
InChIKeyGRANVWJEQAQHLV-UHFFFAOYSA-N
MW347.86 g/mol
LogP2.76
Rot. Bonds3

About 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine

4-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 3154513) has the molecular formula C15H22ClNO4S and a molecular weight of 347.86 g/mol. Its IUPAC name is 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID3154513
Molecular FormulaC15H22ClNO4S
Molecular Weight347.86 g/mol
Exact Mass347.10
IUPAC Name4-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCOc1cc(C)c(Cl)c(C)c1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C15H22ClNO4S/c1-9-6-13(20-5)15(12(4)14(9)16)22(18,19)17-7-10(2)21-11(3)8-17/h6,10-11H,7-8H2,1-5H3
InChIKeyGRANVWJEQAQHLV-UHFFFAOYSA-N
XLogP2.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.86
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N,N-diethyl-6-methoxy-2,4-dimethylbenzenesulfonamide
CID 850023
1-(5-Chloro-2-ethoxy-4-methylbenzenesulfonyl)pyrrolidine
CID 850056
5-chloro-2-methoxy-4-methyl-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1256412
5-chloro-2-ethoxy-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 1818630
5-chloro-2-ethoxy-N,N,4-trimethylbenzenesulfonamide
CID 2237427
1-(5-Chloro-2-methoxy-4-methylbenzenesulfonyl)pyrrolidine
CID 850046
5-chloro-2-ethoxy-N,N-diethyl-4-methylbenzenesulfonamide
CID 850051
3-chloro-6-methoxy-2,4-dimethyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 1288004
5-chloro-N,N-diethyl-4-methyl-2-propoxybenzenesulfonamide
CID 1818631
5-chloro-2-methoxy-4-methyl-N-[3-(4-morpholinyl)propyl]benzenesulfonamide
CID 2239372
1-(5-Chloro-2-ethoxy-4-methylbenzenesulfonyl)-2-ethylpiperidine
CID 20105655
1-(5-Chloro-2-ethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 935187

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine (CID 3154513) is 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine is COc1cc(C)c(Cl)c(C)c1S(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is GRANVWJEQAQHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO4S/c1-9-6-13(20-5)15(12(4)14(9)16)22(18,19)17-7-10(2)21-11(3)8-17/h6,10-11H,7-8H2,1-5H3.
What are the key properties of 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine?
4-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 347.86 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 3154513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).