3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide

C19H20N2O5S2 — CID 56541916

IUPAC3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)NCCCOc2cccc3cccnc23)c1
InChIInChI=1S/C19H20N2O5S2/c1-27(22,23)16-8-3-9-17(14-16)28(24,25)21-12-5-13-26-18-10-2-6-15-7-4-11-20-19(15)18/h2-4,6-11,14,21H,5,12-13H2,1H3
InChIKeyILMYFTLWQGRLOT-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.39
Rot. Bonds8

About 3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide

3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide (PubChem CID 56541916) has the molecular formula C19H20N2O5S2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
PubChem CID56541916
Molecular FormulaC19H20N2O5S2
Molecular Weight420.51 g/mol
Exact Mass420.08
IUPAC Name3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
SMILESCS(=O)(=O)c1cccc(S(=O)(=O)NCCCOc2cccc3cccnc23)c1
InChIInChI=1S/C19H20N2O5S2/c1-27(22,23)16-8-3-9-17(14-16)28(24,25)21-12-5-13-26-18-10-2-6-15-7-4-11-20-19(15)18/h2-4,6-11,14,21H,5,12-13H2,1H3
InChIKeyILMYFTLWQGRLOT-UHFFFAOYSA-N
XLogP2.39
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541607
3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 113102271
4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541471
4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 30206083
ethyl 4-(3-quinolin-8-yloxypropylsulfamoyl)benzoate
CID 56541641
N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 113102285
4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 113102304
5-ethyl-N-(3-quinolin-8-yloxypropyl)thiophene-2-sulfonamide
CID 56574545
5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide
CID 167874233
4-chloro-2-nitro-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541780
2-quinolin-8-yloxyethylhydrazine
CID 82126133
N-[2-(3-methoxyphenoxy)ethyl]-3-methylsulfonylbenzenesulfonamide
CID 34111480

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide?
The IUPAC name of 3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide (CID 56541916) is 3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide?
The canonical SMILES for 3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide is CS(=O)(=O)c1cccc(S(=O)(=O)NCCCOc2cccc3cccnc23)c1.
What is the InChIKey of 3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide?
The InChIKey is ILMYFTLWQGRLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S2/c1-27(22,23)16-8-3-9-17(14-16)28(24,25)21-12-5-13-26-18-10-2-6-15-7-4-11-20-19(15)18/h2-4,6-11,14,21H,5,12-13H2,1H3.
What are the key properties of 3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide?
3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide has a molecular weight of 420.51 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide is sourced from PubChem (CID 56541916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).