N-(5-bromo-3-pyridinyl)-1,1-difluoromethanesulfonamide

C6H5BrF2N2O2S — CID 130487015

IUPACN-(5-bromo-3-pyridinyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(Nc1cncc(Br)c1)C(F)F
InChIInChI=1S/C6H5BrF2N2O2S/c7-4-1-5(3-10-2-4)11-14(12,13)6(8)9/h1-3,6,11H
InChIKeyXSVCHOGAVFJAGF-UHFFFAOYSA-N
MW287.09 g/mol
LogP1.81
Rot. Bonds3

About N-(5-bromo-3-pyridinyl)-1,1-difluoromethanesulfonamide

N-(5-bromo-3-pyridinyl)-1,1-difluoromethanesulfonamide (PubChem CID 130487015) has the molecular formula C6H5BrF2N2O2S and a molecular weight of 287.09 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-1,1-difluoromethanesulfonamide
PubChem CID130487015
Molecular FormulaC6H5BrF2N2O2S
Molecular Weight287.09 g/mol
Exact Mass285.92
IUPAC NameN-(5-bromo-3-pyridinyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(Nc1cncc(Br)c1)C(F)F
InChIInChI=1S/C6H5BrF2N2O2S/c7-4-1-5(3-10-2-4)11-14(12,13)6(8)9/h1-3,6,11H
InChIKeyXSVCHOGAVFJAGF-UHFFFAOYSA-N
XLogP1.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(5-bromo-3-pyridinyl)benzenesulfonamide
CID 121223080
N-(5-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 110869047
3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide
CID 104531690
N-(5-bromo-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 51354314
1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide
CID 43604018
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
N-(5-bromo-3-pyridinyl)-3-methoxythiophene-2-sulfonamide
CID 166185385
5-bromo-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 104531470
2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride
CID 131877177
5-bromo-N-(2,2-dimethyl-4-methylsulfonylbutyl)pyridin-3-amine
CID 75422660
5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine
CID 104531433

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(5-bromo-3-pyridinyl)-1,1-difluoromethanesulfonamide (CID 130487015) is N-(5-bromo-3-pyridinyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-1,1-difluoromethanesulfonamide is O=S(=O)(Nc1cncc(Br)c1)C(F)F.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-1,1-difluoromethanesulfonamide?
The InChIKey is XSVCHOGAVFJAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2O2S/c7-4-1-5(3-10-2-4)11-14(12,13)6(8)9/h1-3,6,11H.
What are the key properties of N-(5-bromo-3-pyridinyl)-1,1-difluoromethanesulfonamide?
N-(5-bromo-3-pyridinyl)-1,1-difluoromethanesulfonamide has a molecular weight of 287.09 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 130487015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).