2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide

C16H13BrN2O3S — CID 132572107

IUPAC2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCn1c(=O)ccc2cc(NS(=O)(=O)c3ccccc3Br)ccc21
InChIInChI=1S/C16H13BrN2O3S/c1-19-14-8-7-12(10-11(14)6-9-16(19)20)18-23(21,22)15-5-3-2-4-13(15)17/h2-10,18H,1H3
InChIKeyMINDGXKMCDVYQZ-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.10
Rot. Bonds3

About 2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide

2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (PubChem CID 132572107) has the molecular formula C16H13BrN2O3S and a molecular weight of 393.26 g/mol. Its IUPAC name is 2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
PubChem CID132572107
Molecular FormulaC16H13BrN2O3S
Molecular Weight393.26 g/mol
Exact Mass391.98
IUPAC Name2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
SMILESCn1c(=O)ccc2cc(NS(=O)(=O)c3ccccc3Br)ccc21
InChIInChI=1S/C16H13BrN2O3S/c1-19-14-8-7-12(10-11(14)6-9-16(19)20)18-23(21,22)15-5-3-2-4-13(15)17/h2-10,18H,1H3
InChIKeyMINDGXKMCDVYQZ-UHFFFAOYSA-N
XLogP3.10
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-2-methyl-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide
CID 118918695
1-methyl-N-(2-methylphenyl)-2-oxoquinoline-6-sulfonamide
CID 70985171
2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide
CID 3263186
2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
CID 3264977
2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide
CID 115379035
2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide
CID 47310409
2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 61215553
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927295
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 3586341
2-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;hydrochloride
CID 44533201
2-bromo-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65030964

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide (CID 132572107) is 2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is Cn1c(=O)ccc2cc(NS(=O)(=O)c3ccccc3Br)ccc21.
What is the InChIKey of 2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
The InChIKey is MINDGXKMCDVYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3S/c1-19-14-8-7-12(10-11(14)6-9-16(19)20)18-23(21,22)15-5-3-2-4-13(15)17/h2-10,18H,1H3.
What are the key properties of 2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide?
2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide has a molecular weight of 393.26 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-methyl-2-oxoquinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 132572107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).