1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone

C15H21NO7S — CID 118477196

IUPAC1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCOc1c(C(C)=O)cc(S(=O)(=O)N2CCOCC2)c(OC)c1OC
InChIInChI=1S/C15H21NO7S/c1-10(17)11-9-12(14(21-3)15(22-4)13(11)20-2)24(18,19)16-5-7-23-8-6-16/h9H,5-8H2,1-4H3
InChIKeyWYYWGFWNYBLBBB-UHFFFAOYSA-N
MW359.40 g/mol
LogP0.94
Rot. Bonds6

About 1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone

1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone (PubChem CID 118477196) has the molecular formula C15H21NO7S and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone
PubChem CID118477196
Molecular FormulaC15H21NO7S
Molecular Weight359.40 g/mol
Exact Mass359.10
IUPAC Name1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone
SMILESCOc1c(C(C)=O)cc(S(=O)(=O)N2CCOCC2)c(OC)c1OC
InChIInChI=1S/C15H21NO7S/c1-10(17)11-9-12(14(21-3)15(22-4)13(11)20-2)24(18,19)16-5-7-23-8-6-16/h9H,5-8H2,1-4H3
InChIKeyWYYWGFWNYBLBBB-UHFFFAOYSA-N
XLogP0.94
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine
CID 110758541
4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine
CID 110758314
propan-2-yl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 43004454
4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-propan-2-ylbenzamide
CID 2994997
methyl 4-amino-2-morpholin-4-ylsulfonylbenzoate
CID 102930731
4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine
CID 13458319
4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid
CID 102919371
N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55625521
4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
CID 747368
methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 779077
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone?
The IUPAC name of 1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone (CID 118477196) is 1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone?
The canonical SMILES for 1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone is COc1c(C(C)=O)cc(S(=O)(=O)N2CCOCC2)c(OC)c1OC.
What is the InChIKey of 1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone?
The InChIKey is WYYWGFWNYBLBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO7S/c1-10(17)11-9-12(14(21-3)15(22-4)13(11)20-2)24(18,19)16-5-7-23-8-6-16/h9H,5-8H2,1-4H3.
What are the key properties of 1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone?
1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone has a molecular weight of 359.40 g/mol, XLogP of 0.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone is sourced from PubChem (CID 118477196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).