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

C12H9BrF2N2O2S — CID 103907866

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H9BrF2N2O2S/c1-7-10(3-5-12(13)16-7)17-20(18,19)11-4-2-8(14)6-9(11)15/h2-6,17H,1H3
InChIKeyFWBLLPLLEFDKMS-UHFFFAOYSA-N
MW363.18 g/mol
LogP3.23
Rot. Bonds3

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

N-(6-bromo-2-methyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide (PubChem CID 103907866) has the molecular formula C12H9BrF2N2O2S and a molecular weight of 363.18 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide
PubChem CID103907866
Molecular FormulaC12H9BrF2N2O2S
Molecular Weight363.18 g/mol
Exact Mass361.95
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H9BrF2N2O2S/c1-7-10(3-5-12(13)16-7)17-20(18,19)11-4-2-8(14)6-9(11)15/h2-6,17H,1H3
InChIKeyFWBLLPLLEFDKMS-UHFFFAOYSA-N
XLogP3.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
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)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide (CID 103907866) is N-(6-bromo-2-methyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide is Cc1nc(Br)ccc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is FWBLLPLLEFDKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2O2S/c1-7-10(3-5-12(13)16-7)17-20(18,19)11-4-2-8(14)6-9(11)15/h2-6,17H,1H3.
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide?
N-(6-bromo-2-methyl-3-pyridinyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 363.18 g/mol, XLogP of 3.23, 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-difluorobenzenesulfonamide is sourced from PubChem (CID 103907866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).