N-(6-bromo-2-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide

C13H12BrFN2O2S — CID 103907814

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H12BrFN2O2S/c1-9-12(6-7-13(14)16-9)17-20(18,19)8-10-2-4-11(15)5-3-10/h2-7,17H,8H2,1H3
InChIKeyBLICZGKSXWYSGX-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.23
Rot. Bonds4

About N-(6-bromo-2-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide

N-(6-bromo-2-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 103907814) has the molecular formula C13H12BrFN2O2S and a molecular weight of 359.22 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide
PubChem CID103907814
Molecular FormulaC13H12BrFN2O2S
Molecular Weight359.22 g/mol
Exact Mass357.98
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H12BrFN2O2S/c1-9-12(6-7-13(14)16-9)17-20(18,19)8-10-2-4-11(15)5-3-10/h2-7,17H,8H2,1H3
InChIKeyBLICZGKSXWYSGX-UHFFFAOYSA-N
XLogP3.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide (CID 103907814) is N-(6-bromo-2-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide is Cc1nc(Br)ccc1NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is BLICZGKSXWYSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2S/c1-9-12(6-7-13(14)16-9)17-20(18,19)8-10-2-4-11(15)5-3-10/h2-7,17H,8H2,1H3.
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide?
N-(6-bromo-2-methyl-3-pyridinyl)-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 359.22 g/mol, XLogP of 3.23, 4 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)-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 103907814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).