N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide

C17H15BrN2O3S — CID 60533343

IUPACN-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1cccc2cc(C)cnc12
InChIInChI=1S/C17H15BrN2O3S/c1-11-8-12-4-3-5-16(17(12)19-10-11)24(21,22)20-14-9-13(18)6-7-15(14)23-2/h3-10,20H,1-2H3
InChIKeyBJRUXIAJDBGDPK-UHFFFAOYSA-N
MW407.29 g/mol
LogP4.12
Rot. Bonds4

About N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide

N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide (PubChem CID 60533343) has the molecular formula C17H15BrN2O3S and a molecular weight of 407.29 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide
PubChem CID60533343
Molecular FormulaC17H15BrN2O3S
Molecular Weight407.29 g/mol
Exact Mass406.00
IUPAC NameN-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide
SMILESCOc1ccc(Br)cc1NS(=O)(=O)c1cccc2cc(C)cnc12
InChIInChI=1S/C17H15BrN2O3S/c1-11-8-12-4-3-5-16(17(12)19-10-11)24(21,22)20-14-9-13(18)6-7-15(14)23-2/h3-10,20H,1-2H3
InChIKeyBJRUXIAJDBGDPK-UHFFFAOYSA-N
XLogP4.12
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-3-pyridinyl)-3-methylquinoline-8-sulfonamide
CID 47038312
N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 31046324
N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046311
N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046482
3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide
CID 25333424
N-(5-bromo-2-methoxyphenyl)-2-cyanobenzenesulfonamide
CID 61061898
N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 47310957
N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47310958
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 43422932
N-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62061591
N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide
CID 31690873
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide (CID 60533343) is N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide is COc1ccc(Br)cc1NS(=O)(=O)c1cccc2cc(C)cnc12.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide?
The InChIKey is BJRUXIAJDBGDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3S/c1-11-8-12-4-3-5-16(17(12)19-10-11)24(21,22)20-14-9-13(18)6-7-15(14)23-2/h3-10,20H,1-2H3.
What are the key properties of N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide?
N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide has a molecular weight of 407.29 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide is sourced from PubChem (CID 60533343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).