N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide

C12H10ClFN2O2S — CID 102976117

IUPACN-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
SMILESCc1cnc(Cl)c(NS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C12H10ClFN2O2S/c1-8-5-11(12(13)15-7-8)16-19(17,18)10-4-2-3-9(14)6-10/h2-7,16H,1H3
InChIKeyXDKDXWZXWHNENL-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.98
Rot. Bonds3

About N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide

N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide (PubChem CID 102976117) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
PubChem CID102976117
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC NameN-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
SMILESCc1cnc(Cl)c(NS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C12H10ClFN2O2S/c1-8-5-11(12(13)15-7-8)16-19(17,18)10-4-2-3-9(14)6-10/h2-7,16H,1H3
InChIKeyXDKDXWZXWHNENL-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

3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide
CID 102976125
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 113253371
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 102976123
N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide
CID 102976182
3-fluoro-N-(2-hydroxy-5-methylphenyl)benzenesulfonamide
CID 54937318
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
N-(2-amino-5-fluorophenyl)-3-methylbenzenesulfonamide
CID 63258167
N-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 102976090
3-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 8500608
N-(2-acetylphenyl)-3-fluorobenzenesulfonamide
CID 2526444
N-(3,6-dimethylquinolin-8-yl)benzenesulfonamide
CID 169225091
methyl 4-chloro-2-[(3-fluorophenyl)sulfonylamino]benzoate
CID 5184954

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide (CID 102976117) is N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide is Cc1cnc(Cl)c(NS(=O)(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide?
The InChIKey is XDKDXWZXWHNENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c1-8-5-11(12(13)15-7-8)16-19(17,18)10-4-2-3-9(14)6-10/h2-7,16H,1H3.
What are the key properties of N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide?
N-(2-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-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 102976117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).