N-(6-bromo-2-methyl-3-pyridinyl)-2,4,6-trifluorobenzenesulfonamide

C12H8BrF3N2O2S — CID 103907836

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-2,4,6-trifluorobenzenesulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H8BrF3N2O2S/c1-6-10(2-3-11(13)17-6)18-21(19,20)12-8(15)4-7(14)5-9(12)16/h2-5,18H,1H3
InChIKeyDGJVVSLGJIVNQN-UHFFFAOYSA-N
MW381.17 g/mol
LogP3.37
Rot. Bonds3

About N-(6-bromo-2-methyl-3-pyridinyl)-2,4,6-trifluorobenzenesulfonamide

N-(6-bromo-2-methyl-3-pyridinyl)-2,4,6-trifluorobenzenesulfonamide (PubChem CID 103907836) has the molecular formula C12H8BrF3N2O2S and a molecular weight of 381.17 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-2,4,6-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-2,4,6-trifluorobenzenesulfonamide
PubChem CID103907836
Molecular FormulaC12H8BrF3N2O2S
Molecular Weight381.17 g/mol
Exact Mass379.94
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-2,4,6-trifluorobenzenesulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H8BrF3N2O2S/c1-6-10(2-3-11(13)17-6)18-21(19,20)12-8(15)4-7(14)5-9(12)16/h2-5,18H,1H3
InChIKeyDGJVVSLGJIVNQN-UHFFFAOYSA-N
XLogP3.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Pyridine, 2-bromo-5-sulphanilamido-
CID 23424183
N-(2,6-dibromo-3-pyridinyl)-N-(2-trimethylsilylethynyl)benzenesulfonamide
CID 135072469
4-bromo-2-fluoro-N-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 86796948
N-[6-bromo-5-cyano-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
CID 23217976
N-(5-bromo-2-methylpyridin-3-yl)-2,4-difluorobenzenesulfonamide
CID 57545877
N-(5-bromo-2-ethyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 57545900
N-(5-bromopyridin-3-yl)-2,4-difluorobenzenesulfonamide
CID 57843410
2,3,4,5,6-pentafluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 59089922
N-(5-bromopyridin-3-yl)-4-fluorobenzenesulfonamide
CID 66671708
3-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 67866452
4-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 67867073
4-bromo-3-fluoro-N-(6-methyl-pyridin-2-yl)-benzenesulfonamide
CID 69641085

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2,4,6-trifluorobenzenesulfonamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2,4,6-trifluorobenzenesulfonamide (CID 103907836) is N-(6-bromo-2-methyl-3-pyridinyl)-2,4,6-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-2,4,6-trifluorobenzenesulfonamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-2,4,6-trifluorobenzenesulfonamide is Cc1nc(Br)ccc1NS(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-2,4,6-trifluorobenzenesulfonamide?
The InChIKey is DGJVVSLGJIVNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O2S/c1-6-10(2-3-11(13)17-6)18-21(19,20)12-8(15)4-7(14)5-9(12)16/h2-5,18H,1H3.
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-2,4,6-trifluorobenzenesulfonamide?
N-(6-bromo-2-methyl-3-pyridinyl)-2,4,6-trifluorobenzenesulfonamide has a molecular weight of 381.17 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)-2,4,6-trifluorobenzenesulfonamide is sourced from PubChem (CID 103907836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).