4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide

C20H22N2O4S — CID 113102304

IUPAC4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCCOc2cccc3cccnc23)cc1
InChIInChI=1S/C20H22N2O4S/c1-15(2)26-17-8-10-18(11-9-17)27(23,24)22-13-14-25-19-7-3-5-16-6-4-12-21-20(16)19/h3-12,15,22H,13-14H2,1-2H3
InChIKeyWAMIBFXOJUQTCP-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.38
Rot. Bonds8

About 4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide

4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide (PubChem CID 113102304) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
PubChem CID113102304
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCCOc2cccc3cccnc23)cc1
InChIInChI=1S/C20H22N2O4S/c1-15(2)26-17-8-10-18(11-9-17)27(23,24)22-13-14-25-19-7-3-5-16-6-4-12-21-20(16)19/h3-12,15,22H,13-14H2,1-2H3
InChIKeyWAMIBFXOJUQTCP-UHFFFAOYSA-N
XLogP3.38
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.38
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

4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 30206083
3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 113102271
N-[2-(2,3-dimethylphenoxy)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113100982
4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541471
3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541916
ethyl 4-(3-quinolin-8-yloxypropylsulfamoyl)benzoate
CID 56541641
N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 113102285
3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541607
N-[2-(3-tert-butylphenoxy)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 113100521
N-(2-quinolin-8-yloxyethyl)propan-2-amine
CID 29015226
5-ethyl-N-(3-quinolin-8-yloxypropyl)thiophene-2-sulfonamide
CID 56574545
2-quinolin-8-yloxyethylhydrazine
CID 82126133

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The IUPAC name of 4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide (CID 113102304) is 4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)NCCOc2cccc3cccnc23)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The InChIKey is WAMIBFXOJUQTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-15(2)26-17-8-10-18(11-9-17)27(23,24)22-13-14-25-19-7-3-5-16-6-4-12-21-20(16)19/h3-12,15,22H,13-14H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 113102304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).