2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide

C14H20N2O6S — CID 110722666

IUPAC2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCN2CCOCC2=O)c1
InChIInChI=1S/C14H20N2O6S/c1-20-11-3-4-12(21-2)13(9-11)23(18,19)15-5-6-16-7-8-22-10-14(16)17/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyIUWDXOUQWSRLQU-UHFFFAOYSA-N
MW344.39 g/mol
LogP-0.16
Rot. Bonds7

About 2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide

2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide (PubChem CID 110722666) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
PubChem CID110722666
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Name2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCN2CCOCC2=O)c1
InChIInChI=1S/C14H20N2O6S/c1-20-11-3-4-12(21-2)13(9-11)23(18,19)15-5-6-16-7-8-22-10-14(16)17/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyIUWDXOUQWSRLQU-UHFFFAOYSA-N
XLogP-0.16
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722675
2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94025297
4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722694
5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6487446
2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267350
2,5-dimethoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789260
2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110300194
2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110642838
2,5-dimethoxy-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide
CID 110716987
2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 27665440
2,5-dimethoxy-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 110721113
2-methoxy-4,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzenesulfonamide
CID 110707287

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide (CID 110722666) is 2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCN2CCOCC2=O)c1.
What is the InChIKey of 2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is IUWDXOUQWSRLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-20-11-3-4-12(21-2)13(9-11)23(18,19)15-5-6-16-7-8-22-10-14(16)17/h3-4,9,15H,5-8,10H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide?
2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of -0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110722666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).