4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide

C15H24N2O5S — CID 110417458

IUPAC4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NOCCN2CCOCC2)c(C)c1
InChIInChI=1S/C15H24N2O5S/c1-12-10-14(20-3)11-13(2)15(12)23(18,19)16-22-9-6-17-4-7-21-8-5-17/h10-11,16H,4-9H2,1-3H3
InChIKeyLEFUJUOBMNWERW-UHFFFAOYSA-N
MW344.43 g/mol
LogP0.85
Rot. Bonds7

About 4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide

4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide (PubChem CID 110417458) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
PubChem CID110417458
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NOCCN2CCOCC2)c(C)c1
InChIInChI=1S/C15H24N2O5S/c1-12-10-14(20-3)11-13(2)15(12)23(18,19)16-22-9-6-17-4-7-21-8-5-17/h10-11,16H,4-9H2,1-3H3
InChIKeyLEFUJUOBMNWERW-UHFFFAOYSA-N
XLogP0.85
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110642838
4-methoxy-2,6-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 94249243
3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110417469
N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110362702
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone
CID 82053018
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285223
4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456823
2-methoxy-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110758317
ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 143832588
3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 110643116
[3-methoxy-5-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 123642977

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide (CID 110417458) is 4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)NOCCN2CCOCC2)c(C)c1.
What is the InChIKey of 4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The InChIKey is LEFUJUOBMNWERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-12-10-14(20-3)11-13(2)15(12)23(18,19)16-22-9-6-17-4-7-21-8-5-17/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide?
4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide has a molecular weight of 344.43 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-N-(2-morpholin-4-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 110417458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).