N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide

C12H10BrFN2O3S — CID 90030487

IUPACN-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESCOc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H10BrFN2O3S/c1-19-12-11(6-8(13)7-15-12)16-20(17,18)10-4-2-9(14)3-5-10/h2-7,16H,1H3
InChIKeyQUFHBWRAYGCSAW-UHFFFAOYSA-N
MW361.19 g/mol
LogP2.79
Rot. Bonds4

About N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide

N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide (PubChem CID 90030487) has the molecular formula C12H10BrFN2O3S and a molecular weight of 361.19 g/mol. Its IUPAC name is N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide
PubChem CID90030487
Molecular FormulaC12H10BrFN2O3S
Molecular Weight361.19 g/mol
Exact Mass359.96
IUPAC NameN-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESCOc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H10BrFN2O3S/c1-19-12-11(6-8(13)7-15-12)16-20(17,18)10-4-2-9(14)3-5-10/h2-7,16H,1H3
InChIKeyQUFHBWRAYGCSAW-UHFFFAOYSA-N
XLogP2.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide
CID 59859943
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 118321360
azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide
CID 175114352
N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide
CID 176736990
5-bromo-3-[(4-fluorophenyl)sulfonylamino]-2-methoxybenzamide
CID 141302035
N-(5-bromo-2-ethoxy-3-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 59860226
N-[5-(7-azidoimidazo[1,2-b][1,2,4]triazin-2-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 74763628
N-[5-bromo-2-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 146211765
N-[5-bromo-2-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 146211803
N-[5-bromo-2-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-fluoro-5-methylbenzenesulfonamide
CID 167561111
N-[5-(3-azidopyrazolo[1,5-a]pyridin-5-yl)-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 90347326
N-[5-[3-(3,3-dimethylbut-1-ynyl)imidazo[1,2-b]pyridazin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 90152169

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide (CID 90030487) is N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide is COc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide?
The InChIKey is QUFHBWRAYGCSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O3S/c1-19-12-11(6-8(13)7-15-12)16-20(17,18)10-4-2-9(14)3-5-10/h2-7,16H,1H3.
What are the key properties of N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide?
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide has a molecular weight of 361.19 g/mol, XLogP of 2.79, 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-fluorobenzenesulfonamide is sourced from PubChem (CID 90030487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).