N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide

C13H9BrF4N2O3S — CID 118321360

IUPACN-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H9BrF4N2O3S/c1-23-12-11(4-7(14)6-19-12)20-24(21,22)8-2-3-10(15)9(5-8)13(16,17)18/h2-6,20H,1H3
InChIKeyNVVANDMNDPCOJG-UHFFFAOYSA-N
MW429.19 g/mol
LogP3.81
Rot. Bonds4

About N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide

N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 118321360) has the molecular formula C13H9BrF4N2O3S and a molecular weight of 429.19 g/mol. Its IUPAC name is N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
PubChem CID118321360
Molecular FormulaC13H9BrF4N2O3S
Molecular Weight429.19 g/mol
Exact Mass427.95
IUPAC NameN-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H9BrF4N2O3S/c1-23-12-11(4-7(14)6-19-12)20-24(21,22)8-2-3-10(15)9(5-8)13(16,17)18/h2-6,20H,1H3
InChIKeyNVVANDMNDPCOJG-UHFFFAOYSA-N
XLogP3.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.19
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 90030487
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108
N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide
CID 59859943
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 118321323
4-chloro-N-(5-formyl-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 90105320
N-(3,5-dimethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 51125858
N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide
CID 176736990
azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide
CID 175114352
N-(2,4-difluoro-3-iodophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 156833350
N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 60585547
N-[5-bromo-2-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-fluoro-3-isocyanobenzenesulfonamide
CID 165373949
N-(5-bromo-2-fluorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62146982

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide (CID 118321360) is N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is COc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NVVANDMNDPCOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF4N2O3S/c1-23-12-11(4-7(14)6-19-12)20-24(21,22)8-2-3-10(15)9(5-8)13(16,17)18/h2-6,20H,1H3.
What are the key properties of N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide?
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 429.19 g/mol, XLogP of 3.81, 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-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118321360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).