N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide

C12H13BrN2O3S — CID 116784850

IUPACN-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C12H13BrN2O3S/c1-18-5-6-19(16,17)15-11-4-2-3-9-7-10(13)8-14-12(9)11/h2-4,7-8,15H,5-6H2,1H3
InChIKeyAADAUUIMFKMYQC-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.39
Rot. Bonds5

About N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide

N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide (PubChem CID 116784850) has the molecular formula C12H13BrN2O3S and a molecular weight of 345.22 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide
PubChem CID116784850
Molecular FormulaC12H13BrN2O3S
Molecular Weight345.22 g/mol
Exact Mass343.98
IUPAC NameN-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C12H13BrN2O3S/c1-18-5-6-19(16,17)15-11-4-2-3-9-7-10(13)8-14-12(9)11/h2-4,7-8,15H,5-6H2,1H3
InChIKeyAADAUUIMFKMYQC-UHFFFAOYSA-N
XLogP2.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide
CID 116784833
N-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide
CID 116784565
3-bromo-N-(propylsulfamoyl)quinolin-8-amine
CID 114808997
2-(2-methoxyethoxy)-N-quinolin-8-ylethanesulfonamide
CID 110426620
methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate
CID 116784844
N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide
CID 116784566
N-(3-bromoquinolin-8-yl)cyclopentanesulfonamide
CID 105361206
2-[(3-bromoquinolin-8-yl)sulfamoyl]butanethioamide
CID 116784591
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
methyl (E)-3-[(3-bromoquinolin-8-yl)amino]prop-2-enoate
CID 103267542
3-bromo-N-(3-ethoxypropyl)quinolin-8-amine
CID 116784215
2-N-(3-bromoquinolin-8-yl)-3-methoxy-2-methylpropane-1,2-diamine
CID 116783715

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide (CID 116784850) is N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide?
The InChIKey is AADAUUIMFKMYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3S/c1-18-5-6-19(16,17)15-11-4-2-3-9-7-10(13)8-14-12(9)11/h2-4,7-8,15H,5-6H2,1H3.
What are the key properties of N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide?
N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide has a molecular weight of 345.22 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 116784850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).