2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide

C14H18N2O4S — CID 110426620

IUPAC2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C14H18N2O4S/c1-19-8-9-20-10-11-21(17,18)16-13-6-2-4-12-5-3-7-15-14(12)13/h2-7,16H,8-11H2,1H3
InChIKeyNITXQXDIBCMELV-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.64
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide

2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide (PubChem CID 110426620) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide
PubChem CID110426620
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide
SMILESCOCCOCCS(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C14H18N2O4S/c1-19-8-9-20-10-11-21(17,18)16-13-6-2-4-12-5-3-7-15-14(12)13/h2-7,16H,8-11H2,1H3
InChIKeyNITXQXDIBCMELV-UHFFFAOYSA-N
XLogP1.64
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.64
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-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide
CID 116784850
2-(2-methoxyethylamino)-N-quinolin-8-ylacetamide
CID 79282594
dimethyl 2-(quinolin-8-ylsulfamoyl)benzene-1,4-dicarboxylate
CID 24502183
3-morpholin-4-yl-N-quinolin-8-ylpropane-1-sulfonamide
CID 3830487
N-methoxyquinolin-8-amine
CID 143696561
N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide
CID 116784833
methyl 3-hydroxy-2-[2-(2-methoxyethoxy)ethylsulfonylamino]benzoate
CID 167946273
3-N-[2-(2-methoxyethoxy)ethyl]pyridine-2,3-diamine
CID 104540211
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 110423362
2-(2-methoxyethoxy)-N-(4-phenoxyphenyl)ethanesulfonamide
CID 110425621
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
CID 24502180

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide (CID 110426620) is 2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide is COCCOCCS(=O)(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide?
The InChIKey is NITXQXDIBCMELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-19-8-9-20-10-11-21(17,18)16-13-6-2-4-12-5-3-7-15-14(12)13/h2-7,16H,8-11H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide?
2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide is sourced from PubChem (CID 110426620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).