azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide

C7H12BrN3O3S — CID 175114352

IUPACazane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide
SMILESCOc1ncc(Br)cc1NS(C)(=O)=O.N
InChIInChI=1S/C7H9BrN2O3S.H3N/c1-13-7-6(10-14(2,11)12)3-5(8)4-9-7;/h3-4,10H,1-2H3;1H3
InChIKeyHCUCLCSXDYOYSX-UHFFFAOYSA-N
MW298.16 g/mol
LogP1.39
Rot. Bonds3

About azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide

azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide (PubChem CID 175114352) has the molecular formula C7H12BrN3O3S and a molecular weight of 298.16 g/mol. Its IUPAC name is azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Nameazane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide
PubChem CID175114352
Molecular FormulaC7H12BrN3O3S
Molecular Weight298.16 g/mol
Exact Mass296.98
IUPAC Nameazane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide
SMILESCOc1ncc(Br)cc1NS(C)(=O)=O.N
InChIInChI=1S/C7H9BrN2O3S.H3N/c1-13-7-6(10-14(2,11)12)3-5(8)4-9-7;/h3-4,10H,1-2H3;1H3
InChIKeyHCUCLCSXDYOYSX-UHFFFAOYSA-N
XLogP1.39
TPSA103.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-methoxy-3-pyridinyl)benzenesulfonamide
CID 59859943
N-[5-bromo-2-[2-(tert-butylamino)ethoxy]-3-pyridinyl]methanesulfonamide
CID 165373769
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 90030487
N-[5-bromo-2-(oxiran-2-ylmethoxy)-3-pyridinyl]methanesulfonamide
CID 156693422
N-[5-bromo-2-(methylamino)-3-pyridinyl]methanesulfonamide
CID 66820509
N-(5-bromo-2-methoxy-3-pyridinyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 118321360
N-(5-bromo-2-methoxy-3-pyridinyl)-4-ethyl-2-fluorobenzenesulfonamide
CID 176736990
5-bromo-2-methoxy-N-methylpyridine-3-carboxamide
CID 25114918
N-(5-bromo-2-methoxy-3-pyridinyl)propanamide
CID 71304513
N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 790872
N-(5-isoquinolin-7-yl-2-methoxy-3-pyridinyl)methanesulfonamide
CID 155512208
N-[5-bromo-2-[3-(3-fluoropyrrolidin-1-yl)propoxy]-3-pyridinyl]methanesulfonamide
CID 165374036

Frequently Asked Questions

What is the IUPAC name of azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide?
The IUPAC name of azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide (CID 175114352) is azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide.
What is the SMILES notation for azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide?
The canonical SMILES for azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide is COc1ncc(Br)cc1NS(C)(=O)=O.N.
What is the InChIKey of azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide?
The InChIKey is HCUCLCSXDYOYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O3S.H3N/c1-13-7-6(10-14(2,11)12)3-5(8)4-9-7;/h3-4,10H,1-2H3;1H3.
What are the key properties of azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide?
azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide has a molecular weight of 298.16 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-(5-bromo-2-methoxy-3-pyridinyl)methanesulfonamide is sourced from PubChem (CID 175114352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).