N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide

C12H9BrClFN2O2S — CID 115731782

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C12H9BrClFN2O2S/c1-7-4-8(13)6-16-12(7)17-20(18,19)11-5-9(15)2-3-10(11)14/h2-6H,1H3,(H,16,17)
InChIKeyRTDOOZBMKXCOAJ-UHFFFAOYSA-N
MW379.64 g/mol
LogP3.75
Rot. Bonds3

About N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide

N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 115731782) has the molecular formula C12H9BrClFN2O2S and a molecular weight of 379.64 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID115731782
Molecular FormulaC12H9BrClFN2O2S
Molecular Weight379.64 g/mol
Exact Mass377.92
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCc1cc(Br)cnc1NS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C12H9BrClFN2O2S/c1-7-4-8(13)6-16-12(7)17-20(18,19)11-5-9(15)2-3-10(11)14/h2-6H,1H3,(H,16,17)
InChIKeyRTDOOZBMKXCOAJ-UHFFFAOYSA-N
XLogP3.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-3-methyl-2-pyridinyl)-2,5-difluorobenzenesulfonamide
CID 81421965
4-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 81421854
N-(5-amino-3-bromo-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399568
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610711
3-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 83167341
2,5-dibromo-N-(5-bromo-3-methyl-2-pyridinyl)benzenesulfonamide
CID 83170783
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 83166077
N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610699
N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706
4-amino-N-(5-bromo-3-methyl-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 83170947
5-bromo-2-chloro-N-(5-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 60779864

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide (CID 115731782) is N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide is Cc1cc(Br)cnc1NS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is RTDOOZBMKXCOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O2S/c1-7-4-8(13)6-16-12(7)17-20(18,19)11-5-9(15)2-3-10(11)14/h2-6H,1H3,(H,16,17).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 379.64 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 115731782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).