N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide

C14H20N2O5S — CID 55565689

IUPACN-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C14H20N2O5S/c1-20-8-5-15-22(18,19)13-4-2-3-12(11-13)14(17)16-6-9-21-10-7-16/h2-4,11,15H,5-10H2,1H3
InChIKeyRUZOMHKPYAQHNL-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.08
Rot. Bonds6

About N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide

N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (PubChem CID 55565689) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
PubChem CID55565689
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC NameN-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C14H20N2O5S/c1-20-8-5-15-22(18,19)13-4-2-3-12(11-13)14(17)16-6-9-21-10-7-16/h2-4,11,15H,5-10H2,1H3
InChIKeyRUZOMHKPYAQHNL-UHFFFAOYSA-N
XLogP0.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55566298
N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677143
3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56511421
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119409333
3-(3-aminopiperidine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119377248
N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
N-(2-methoxyethyl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]benzenesulfonamide
CID 55565587
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677166
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
4-methoxy-N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 9003804
3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 138989242

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide (CID 55565689) is N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide is COCCNS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is RUZOMHKPYAQHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-20-8-5-15-22(18,19)13-4-2-3-12(11-13)14(17)16-6-9-21-10-7-16/h2-4,11,15H,5-10H2,1H3.
What are the key properties of N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide?
N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55565689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).