2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide

C17H15BrN2O4S — CID 112773656

IUPAC2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)Nc2cccc3ncccc23)cc1OC
InChIInChI=1S/C17H15BrN2O4S/c1-23-15-9-12(18)17(10-16(15)24-2)25(21,22)20-14-7-3-6-13-11(14)5-4-8-19-13/h3-10,20H,1-2H3
InChIKeyRCNFIUDMAKKCEO-UHFFFAOYSA-N
MW423.29 g/mol
LogP3.82
Rot. Bonds5

About 2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide

2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide (PubChem CID 112773656) has the molecular formula C17H15BrN2O4S and a molecular weight of 423.29 g/mol. Its IUPAC name is 2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
PubChem CID112773656
Molecular FormulaC17H15BrN2O4S
Molecular Weight423.29 g/mol
Exact Mass421.99
IUPAC Name2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
SMILESCOc1cc(Br)c(S(=O)(=O)Nc2cccc3ncccc23)cc1OC
InChIInChI=1S/C17H15BrN2O4S/c1-23-15-9-12(18)17(10-16(15)24-2)25(21,22)20-14-7-3-6-13-11(14)5-4-8-19-13/h3-10,20H,1-2H3
InChIKeyRCNFIUDMAKKCEO-UHFFFAOYSA-N
XLogP3.82
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
CID 35282374
3-methoxy-N-quinolin-5-ylthiophene-2-sulfonamide
CID 75435601
2-bromo-N-(2,6-dimethylphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658198
2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658176
4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
CID 110734015
2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide
CID 112773648
2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3847613
N-(2,3-dimethoxyphenyl)quinoline-8-sulfonamide
CID 3866922
4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 26706123
N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 103816000
2-bromo-4,5-dimethoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 55895758
3-bromo-4-methoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 4027215

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide?
The IUPAC name of 2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide (CID 112773656) is 2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide is COc1cc(Br)c(S(=O)(=O)Nc2cccc3ncccc23)cc1OC.
What is the InChIKey of 2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide?
The InChIKey is RCNFIUDMAKKCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O4S/c1-23-15-9-12(18)17(10-16(15)24-2)25(21,22)20-14-7-3-6-13-11(14)5-4-8-19-13/h3-10,20H,1-2H3.
What are the key properties of 2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide?
2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide has a molecular weight of 423.29 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide is sourced from PubChem (CID 112773656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).