N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide

C12H11BrN2O3S — CID 59859943

IUPACN-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ncc(Br)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H11BrN2O3S/c1-18-12-11(7-9(13)8-14-12)15-19(16,17)10-5-3-2-4-6-10/h2-8,15H,1H3
InChIKeyFEJYMTYIAIUQPK-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.65
Rot. Bonds4

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

N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 59859943) has the molecular formula C12H11BrN2O3S and a molecular weight of 343.20 g/mol. Its IUPAC name is N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide
PubChem CID59859943
Molecular FormulaC12H11BrN2O3S
Molecular Weight343.20 g/mol
Exact Mass341.97
IUPAC NameN-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ncc(Br)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H11BrN2O3S/c1-18-12-11(7-9(13)8-14-12)15-19(16,17)10-5-3-2-4-6-10/h2-8,15H,1H3
InChIKeyFEJYMTYIAIUQPK-UHFFFAOYSA-N
XLogP2.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.65
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
N-[5-bromo-2-(methylamino)-3-pyridinyl]benzenesulfonamide
CID 66800730
azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide
CID 175114352
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 118321360
N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 141461668
N-[5-bromo-2-(3-piperidin-1-ylpropoxy)-3-pyridinyl]benzenesulfonamide
CID 165374146
N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide
CID 176736990
N-(2-bromo-6-methoxy-3-pyridinyl)benzenesulfonamide
CID 87537913
N-[5-bromo-2-(4-oxidothiomorpholin-4-ium-4-yl)-3-pyridinyl]benzenesulfonamide
CID 175101672
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
N-[5-bromo-2-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 146211765
N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
CID 68974633

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide (CID 59859943) is N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide is COc1ncc(Br)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is FEJYMTYIAIUQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S/c1-18-12-11(7-9(13)8-14-12)15-19(16,17)10-5-3-2-4-6-10/h2-8,15H,1H3.
What are the key properties of N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide?
N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide has a molecular weight of 343.20 g/mol, XLogP of 2.65, 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)benzenesulfonamide is sourced from PubChem (CID 59859943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).