4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide

C21H26N2O5S — CID 18108400

IUPAC4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C21H26N2O5S/c1-4-27-19-9-7-18(8-10-19)22-29(25,26)20-11-5-17(6-12-20)21(24)23-13-15(2)28-16(3)14-23/h5-12,15-16,22H,4,13-14H2,1-3H3
InChIKeyYRZTXIOXGFSRJX-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.14
Rot. Bonds6

About 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide

4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide (PubChem CID 18108400) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
PubChem CID18108400
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C21H26N2O5S/c1-4-27-19-9-7-18(8-10-19)22-29(25,26)20-11-5-17(6-12-20)21(24)23-13-15(2)28-16(3)14-23/h5-12,15-16,22H,4,13-14H2,1-3H3
InChIKeyYRZTXIOXGFSRJX-UHFFFAOYSA-N
XLogP3.14
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 43005311
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]furan-3-sulfonamide
CID 136541828
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 24979496
4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide
CID 9271299
N-(4-ethoxyphenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 55350429
(2,6-dimethylmorpholin-4-yl)-[4-(ethylamino)phenyl]methanone
CID 62170652
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9164416
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164413
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide
CID 25331350
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
4-[(4-ethoxyphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 43018756

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide (CID 18108400) is 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CC(C)OC(C)C3)cc2)cc1.
What is the InChIKey of 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide?
The InChIKey is YRZTXIOXGFSRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-4-27-19-9-7-18(8-10-19)22-29(25,26)20-11-5-17(6-12-20)21(24)23-13-15(2)28-16(3)14-23/h5-12,15-16,22H,4,13-14H2,1-3H3.
What are the key properties of 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide?
4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholine-4-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 18108400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).