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

C18H17BrN2O3S — CID 56541607

IUPAC3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCOc1cccc2cccnc12)c1cccc(Br)c1
InChIInChI=1S/C18H17BrN2O3S/c19-15-7-2-8-16(13-15)25(22,23)21-11-4-12-24-17-9-1-5-14-6-3-10-20-18(14)17/h1-3,5-10,13,21H,4,11-12H2
InChIKeyYVLLMSYGPQJACG-UHFFFAOYSA-N
MW421.32 g/mol
LogP3.74
Rot. Bonds7

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

3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide (PubChem CID 56541607) has the molecular formula C18H17BrN2O3S and a molecular weight of 421.32 g/mol. Its IUPAC name is 3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
PubChem CID56541607
Molecular FormulaC18H17BrN2O3S
Molecular Weight421.32 g/mol
Exact Mass420.01
IUPAC Name3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCOc1cccc2cccnc12)c1cccc(Br)c1
InChIInChI=1S/C18H17BrN2O3S/c19-15-7-2-8-16(13-15)25(22,23)21-11-4-12-24-17-9-1-5-14-6-3-10-20-18(14)17/h1-3,5-10,13,21H,4,11-12H2
InChIKeyYVLLMSYGPQJACG-UHFFFAOYSA-N
XLogP3.74
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 53.74
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

3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541916
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
N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 113102285
ethyl 4-(3-quinolin-8-yloxypropylsulfamoyl)benzoate
CID 56541641
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
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
2-quinolin-8-yloxyethylhydrazine
CID 82126133

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide (CID 56541607) is 3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide is O=S(=O)(NCCCOc1cccc2cccnc12)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide?
The InChIKey is YVLLMSYGPQJACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3S/c19-15-7-2-8-16(13-15)25(22,23)21-11-4-12-24-17-9-1-5-14-6-3-10-20-18(14)17/h1-3,5-10,13,21H,4,11-12H2.
What are the key properties of 3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide?
3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide has a molecular weight of 421.32 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide is sourced from PubChem (CID 56541607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).