2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide

C14H22N2O6S — CID 110642838

IUPAC2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NOCCN2CCOCC2)c1
InChIInChI=1S/C14H22N2O6S/c1-19-12-3-4-13(20-2)14(11-12)23(17,18)15-22-10-7-16-5-8-21-9-6-16/h3-4,11,15H,5-10H2,1-2H3
InChIKeyTWHYTXUCKGIUIF-UHFFFAOYSA-N
MW346.41 g/mol
LogP0.25
Rot. Bonds8

About 2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide

2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide (PubChem CID 110642838) has the molecular formula C14H22N2O6S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
PubChem CID110642838
Molecular FormulaC14H22N2O6S
Molecular Weight346.41 g/mol
Exact Mass346.12
IUPAC Name2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NOCCN2CCOCC2)c1
InChIInChI=1S/C14H22N2O6S/c1-19-12-3-4-13(20-2)14(11-12)23(17,18)15-22-10-7-16-5-8-21-9-6-16/h3-4,11,15H,5-10H2,1-2H3
InChIKeyTWHYTXUCKGIUIF-UHFFFAOYSA-N
XLogP0.25
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110417458
2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 27665440
N-ethoxy-2,5-dimethoxybenzenesulfonamide
CID 60700414
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
4-[2-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]morpholine
CID 113073742
5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6487446
2,5-dimethoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722666
N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide
CID 110315822
2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110300194
3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 110643116
2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267350
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-oxazepane
CID 4987826

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide (CID 110642838) is 2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NOCCN2CCOCC2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The InChIKey is TWHYTXUCKGIUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O6S/c1-19-12-3-4-13(20-2)14(11-12)23(17,18)15-22-10-7-16-5-8-21-9-6-16/h3-4,11,15H,5-10H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide?
2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 110642838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).