N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide

C16H13BrN2O2S — CID 4197183

IUPACN-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc3cccnc23)c(Br)c1
InChIInChI=1S/C16H13BrN2O2S/c1-11-7-8-14(13(17)10-11)19-22(20,21)15-6-2-4-12-5-3-9-18-16(12)15/h2-10,19H,1H3
InChIKeyKDXLHHOQZQKFCO-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.11
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide

N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide (PubChem CID 4197183) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
PubChem CID4197183
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC NameN-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc3cccnc23)c(Br)c1
InChIInChI=1S/C16H13BrN2O2S/c1-11-7-8-14(13(17)10-11)19-22(20,21)15-6-2-4-12-5-3-9-18-16(12)15/h2-10,19H,1H3
InChIKeyKDXLHHOQZQKFCO-UHFFFAOYSA-N
XLogP4.11
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62164065
3-[(2-bromo-4-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596311
N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 60560655
2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 24629216
N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046311
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-(2-chloro-4-sulfamoylphenyl)quinoline-8-sulfonamide
CID 35767151
N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide
CID 5007550
N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
CID 3338850
N-(2,5-difluorophenyl)quinoline-8-sulfonamide
CID 22773481
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide (CID 4197183) is N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide is Cc1ccc(NS(=O)(=O)c2cccc3cccnc23)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide?
The InChIKey is KDXLHHOQZQKFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c1-11-7-8-14(13(17)10-11)19-22(20,21)15-6-2-4-12-5-3-9-18-16(12)15/h2-10,19H,1H3.
What are the key properties of N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide?
N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide has a molecular weight of 377.26 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide is sourced from PubChem (CID 4197183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).