N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide

C12H10ClFN2O2S — CID 113253371

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(F)c2)cnc1Cl
InChIInChI=1S/C12H10ClFN2O2S/c1-8-5-10(7-15-12(8)13)16-19(17,18)11-4-2-3-9(14)6-11/h2-7,16H,1H3
InChIKeyWOQKWQPFSUSCOX-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.98
Rot. Bonds3

About N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide

N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide (PubChem CID 113253371) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
PubChem CID113253371
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(F)c2)cnc1Cl
InChIInChI=1S/C12H10ClFN2O2S/c1-8-5-10(7-15-12(8)13)16-19(17,18)11-4-2-3-9(14)6-11/h2-7,16H,1H3
InChIKeyWOQKWQPFSUSCOX-UHFFFAOYSA-N
XLogP2.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.98
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-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 102976117
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzenesulfonamide
CID 103744901
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103744911
N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide
CID 103744866
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744916
4-[(6-chloro-5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 91644529
N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide
CID 122301898
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 103761376
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-fluorobenzenesulfonamide
CID 31913493
3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 56651283
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744848
N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
CID 24708334

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide (CID 113253371) is N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2cccc(F)c2)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide?
The InChIKey is WOQKWQPFSUSCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c1-8-5-10(7-15-12(8)13)16-19(17,18)11-4-2-3-9(14)6-11/h2-7,16H,1H3.
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide?
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide has a molecular weight of 300.74 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 113253371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).