N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide

C12H10BrFN2O2S — CID 113267846

IUPACN-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccnc1Br
InChIInChI=1S/C12H10BrFN2O2S/c1-8-4-5-9(14)7-11(8)19(17,18)16-10-3-2-6-15-12(10)13/h2-7,16H,1H3
InChIKeyLCJPCGPRCDBRRF-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.09
Rot. Bonds3

About N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide

N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 113267846) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID113267846
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC NameN-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccnc1Br
InChIInChI=1S/C12H10BrFN2O2S/c1-8-4-5-9(14)7-11(8)19(17,18)16-10-3-2-6-15-12(10)13/h2-7,16H,1H3
InChIKeyLCJPCGPRCDBRRF-UHFFFAOYSA-N
XLogP3.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.09
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

N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 103816111
5-bromo-N-(2-bromo-3-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 103816032
N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 103816000
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
CID 114051884
5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 113267852
2-amino-N-(4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 55044474
N-(5-fluoro-2-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304023
4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
CID 110734015

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide (CID 113267846) is N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1cccnc1Br.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is LCJPCGPRCDBRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c1-8-4-5-9(14)7-11(8)19(17,18)16-10-3-2-6-15-12(10)13/h2-7,16H,1H3.
What are the key properties of N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide?
N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 345.19 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 113267846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).