5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide

C23H24ClN3O6S — CID 5303366

IUPAC5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)NCCOc1cccc2cccnc12)N1CCOCC1
InChIInChI=1S/C23H24ClN3O6S/c24-18-6-7-19(33-16-22(28)27-10-13-31-14-11-27)21(15-18)34(29,30)26-9-12-32-20-5-1-3-17-4-2-8-25-23(17)20/h1-8,15,26H,9-14,16H2
InChIKeyNEMBWCVZRLUSSI-UHFFFAOYSA-N
MW505.98 g/mol
LogP2.48
Rot. Bonds9

About 5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide

5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide (PubChem CID 5303366) has the molecular formula C23H24ClN3O6S and a molecular weight of 505.98 g/mol. Its IUPAC name is 5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
PubChem CID5303366
Molecular FormulaC23H24ClN3O6S
Molecular Weight505.98 g/mol
Exact Mass505.11
IUPAC Name5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)NCCOc1cccc2cccnc12)N1CCOCC1
InChIInChI=1S/C23H24ClN3O6S/c24-18-6-7-19(33-16-22(28)27-10-13-31-14-11-27)21(15-18)34(29,30)26-9-12-32-20-5-1-3-17-4-2-8-25-23(17)20/h1-8,15,26H,9-14,16H2
InChIKeyNEMBWCVZRLUSSI-UHFFFAOYSA-N
XLogP2.48
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.98
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-propylbenzenesulfonamide
CID 5306904
4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 30206083
4-chloro-2-nitro-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541780
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110855024
N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 113102285
3-(2-morpholin-4-yl-2-oxoethoxy)pyridine-2-carboxylic acid
CID 61380057
1-(azepan-1-yl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)ethanone
CID 30147236
1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone
CID 166284147
1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110849960
4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde
CID 110850159
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 9154776
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 30147244

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide (CID 5303366) is 5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide is O=C(COc1ccc(Cl)cc1S(=O)(=O)NCCOc1cccc2cccnc12)N1CCOCC1.
What is the InChIKey of 5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The InChIKey is NEMBWCVZRLUSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O6S/c24-18-6-7-19(33-16-22(28)27-10-13-31-14-11-27)21(15-18)34(29,30)26-9-12-32-20-5-1-3-17-4-2-8-25-23(17)20/h1-8,15,26H,9-14,16H2.
What are the key properties of 5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide has a molecular weight of 505.98 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 5303366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).