N-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide

C13H11BrF2N2O3S — CID 59860226

IUPACN-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide
SMILESCCOc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H11BrF2N2O3S/c1-2-21-13-11(5-8(14)7-17-13)18-22(19,20)12-4-3-9(15)6-10(12)16/h3-7,18H,2H2,1H3
InChIKeyXGRIFSBPLCBFDK-UHFFFAOYSA-N
MW393.21 g/mol
LogP3.32
Rot. Bonds5

About N-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide

N-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide (PubChem CID 59860226) has the molecular formula C13H11BrF2N2O3S and a molecular weight of 393.21 g/mol. Its IUPAC name is N-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide
PubChem CID59860226
Molecular FormulaC13H11BrF2N2O3S
Molecular Weight393.21 g/mol
Exact Mass391.96
IUPAC NameN-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide
SMILESCCOc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H11BrF2N2O3S/c1-2-21-13-11(5-8(14)7-17-13)18-22(19,20)12-4-3-9(15)6-10(12)16/h3-7,18H,2H2,1H3
InChIKeyXGRIFSBPLCBFDK-UHFFFAOYSA-N
XLogP3.32
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.21
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide
CID 176736990
5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
CID 2488065
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 90030487
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
4-bromo-N-(2,5-difluorophenyl)-2-fluorobenzenesulfonamide
CID 97455684
N-[5-[4-amino-3-(butylamino)phenyl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 123172493
N-(5-bromo-2-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 60723562
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 2488296
N-(5-bromo-2-chloro-4-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 118302673
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide (CID 59860226) is N-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide is CCOc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is XGRIFSBPLCBFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O3S/c1-2-21-13-11(5-8(14)7-17-13)18-22(19,20)12-4-3-9(15)6-10(12)16/h3-7,18H,2H2,1H3.
What are the key properties of N-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
N-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 393.21 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 59860226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).