5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide

C19H19BrN2O3S — CID 16615074

IUPAC5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C19H19BrN2O3S/c1-2-25-17-9-8-16(20)13-18(17)26(23,24)22-12-10-15-6-3-5-14-7-4-11-21-19(14)15/h3-9,11,13,22H,2,10,12H2,1H3
InChIKeyCPQTXMJLJZDSAS-UHFFFAOYSA-N
MW435.34 g/mol
LogP3.92
Rot. Bonds7

About 5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide

5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide (PubChem CID 16615074) has the molecular formula C19H19BrN2O3S and a molecular weight of 435.34 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
PubChem CID16615074
Molecular FormulaC19H19BrN2O3S
Molecular Weight435.34 g/mol
Exact Mass434.03
IUPAC Name5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C19H19BrN2O3S/c1-2-25-17-9-8-16(20)13-18(17)26(23,24)22-12-10-15-6-3-5-14-7-4-11-21-19(14)15/h3-9,11,13,22H,2,10,12H2,1H3
InChIKeyCPQTXMJLJZDSAS-UHFFFAOYSA-N
XLogP3.92
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 18152497
quinolin-8-yl 5-bromo-2-ethoxybenzenesulfonate
CID 26945835
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3734438
2,3-dichloro-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 16615086
5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 2561925
8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 3684734
5-bromo-2-ethoxy-N-(isoquinolin-1-ylmethyl)benzenesulfonamide
CID 17440973
5-bromo-2-ethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 40665032
5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 4830347
5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 2394336
5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 25048330
5-bromo-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 9301756

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide (CID 16615074) is 5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)NCCc1cccc2cccnc12.
What is the InChIKey of 5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide?
The InChIKey is CPQTXMJLJZDSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3S/c1-2-25-17-9-8-16(20)13-18(17)26(23,24)22-12-10-15-6-3-5-14-7-4-11-21-19(14)15/h3-9,11,13,22H,2,10,12H2,1H3.
What are the key properties of 5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide?
5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide has a molecular weight of 435.34 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide is sourced from PubChem (CID 16615074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).