3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide

C19H20N2O3S — CID 113102271

IUPAC3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOc2cccc3cccnc23)cc1C
InChIInChI=1S/C19H20N2O3S/c1-14-8-9-17(13-15(14)2)25(22,23)21-11-12-24-18-7-3-5-16-6-4-10-20-19(16)18/h3-10,13,21H,11-12H2,1-2H3
InChIKeyVWKVLOQOHDWHGB-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.21
Rot. Bonds6

About 3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide

3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide (PubChem CID 113102271) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
PubChem CID113102271
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOc2cccc3cccnc23)cc1C
InChIInChI=1S/C19H20N2O3S/c1-14-8-9-17(13-15(14)2)25(22,23)21-11-12-24-18-7-3-5-16-6-4-10-20-19(16)18/h3-10,13,21H,11-12H2,1-2H3
InChIKeyVWKVLOQOHDWHGB-UHFFFAOYSA-N
XLogP3.21
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 30206083
3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541916
N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 113102285
4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 113102304
3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541607
N-[2-(2,3-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100958
ethyl 4-(3-quinolin-8-yloxypropylsulfamoyl)benzoate
CID 56541641
4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541471
N-[2-(2,5-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100856
5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide
CID 167874233
5-ethyl-N-(3-quinolin-8-yloxypropyl)thiophene-2-sulfonamide
CID 56574545
N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099923

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide (CID 113102271) is 3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCOc2cccc3cccnc23)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The InChIKey is VWKVLOQOHDWHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-14-8-9-17(13-15(14)2)25(22,23)21-11-12-24-18-7-3-5-16-6-4-10-20-19(16)18/h3-10,13,21H,11-12H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 113102271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).