N-[(5-bromoquinolin-8-yl)methyl]-N-methylmethanesulfonamide

C12H13BrN2O2S — CID 84600210

IUPACN-[(5-bromoquinolin-8-yl)methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(Br)c2cccnc12)S(C)(=O)=O
InChIInChI=1S/C12H13BrN2O2S/c1-15(18(2,16)17)8-9-5-6-11(13)10-4-3-7-14-12(9)10/h3-7H,8H2,1-2H3
InChIKeyMILZOWAMPFQQRW-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.39
Rot. Bonds3

About N-[(5-bromoquinolin-8-yl)methyl]-N-methylmethanesulfonamide

N-[(5-bromoquinolin-8-yl)methyl]-N-methylmethanesulfonamide (PubChem CID 84600210) has the molecular formula C12H13BrN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]-N-methylmethanesulfonamide
PubChem CID84600210
Molecular FormulaC12H13BrN2O2S
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccc(Br)c2cccnc12)S(C)(=O)=O
InChIInChI=1S/C12H13BrN2O2S/c1-15(18(2,16)17)8-9-5-6-11(13)10-4-3-7-14-12(9)10/h3-7H,8H2,1-2H3
InChIKeyMILZOWAMPFQQRW-UHFFFAOYSA-N
XLogP2.39
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromoquinolin-8-yl)methyl]-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-N-methylmethanesulfonamide (CID 84600210) is N-[(5-bromoquinolin-8-yl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]-N-methylmethanesulfonamide is CN(Cc1ccc(Br)c2cccnc12)S(C)(=O)=O.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]-N-methylmethanesulfonamide?
The InChIKey is MILZOWAMPFQQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S/c1-15(18(2,16)17)8-9-5-6-11(13)10-4-3-7-14-12(9)10/h3-7H,8H2,1-2H3.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]-N-methylmethanesulfonamide?
N-[(5-bromoquinolin-8-yl)methyl]-N-methylmethanesulfonamide has a molecular weight of 329.22 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromoquinolin-8-yl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 84600210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).