N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide

C13H15BrClN3O2S — CID 133437081

IUPACN-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNc1ccc2cc(Br)cc(Cl)c2n1
InChIInChI=1S/C13H15BrClN3O2S/c1-2-21(19,20)17-6-5-16-12-4-3-9-7-10(14)8-11(15)13(9)18-12/h3-4,7-8,17H,2,5-6H2,1H3,(H,16,18)
InChIKeyWIVWSGQQJIHLFW-UHFFFAOYSA-N
MW392.71 g/mol
LogP3.00
Rot. Bonds6

About N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide

N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide (PubChem CID 133437081) has the molecular formula C13H15BrClN3O2S and a molecular weight of 392.71 g/mol. Its IUPAC name is N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide
PubChem CID133437081
Molecular FormulaC13H15BrClN3O2S
Molecular Weight392.71 g/mol
Exact Mass390.98
IUPAC NameN-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNc1ccc2cc(Br)cc(Cl)c2n1
InChIInChI=1S/C13H15BrClN3O2S/c1-2-21(19,20)17-6-5-16-12-4-3-9-7-10(14)8-11(15)13(9)18-12/h3-4,7-8,17H,2,5-6H2,1H3,(H,16,18)
InChIKeyWIVWSGQQJIHLFW-UHFFFAOYSA-N
XLogP3.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.71
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-bromo-8-chloroquinolin-2-yl)amino]propan-1-ol
CID 75445295
N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide
CID 133436542
3-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 133437196
3-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N-methylbenzenesulfonamide
CID 133436656
1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol
CID 133437290
8-chloro-6-iodo-N-propylquinolin-2-amine
CID 107608062
4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide
CID 133436485
6-bromo-8-chloro-N-[(1-methylimidazol-2-yl)methyl]quinolin-2-amine
CID 133437021
3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol
CID 133436638
3-amino-5-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]-1H-pyrazole-4-carbonitrile
CID 133436312
1-[(6-bromo-8-chloroquinolin-2-yl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 75445309
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide
CID 71969785

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide (CID 133437081) is N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCNc1ccc2cc(Br)cc(Cl)c2n1.
What is the InChIKey of N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide?
The InChIKey is WIVWSGQQJIHLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O2S/c1-2-21(19,20)17-6-5-16-12-4-3-9-7-10(14)8-11(15)13(9)18-12/h3-4,7-8,17H,2,5-6H2,1H3,(H,16,18).
What are the key properties of N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide?
N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide has a molecular weight of 392.71 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide is sourced from PubChem (CID 133437081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).