N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide

C12H10ClFN2O2S — CID 103744911

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2F)cnc1Cl
InChIInChI=1S/C12H10ClFN2O2S/c1-8-6-9(7-15-12(8)13)16-19(17,18)11-5-3-2-4-10(11)14/h2-7,16H,1H3
InChIKeyNPOYSSVHESQGIG-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.98
Rot. Bonds3

About N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide

N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide (PubChem CID 103744911) 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)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
PubChem CID103744911
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2F)cnc1Cl
InChIInChI=1S/C12H10ClFN2O2S/c1-8-6-9(7-15-12(8)13)16-19(17,18)11-5-3-2-4-10(11)14/h2-7,16H,1H3
InChIKeyNPOYSSVHESQGIG-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-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744916
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 103761376
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744848
N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103744880
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 113253371
N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide
CID 103744866
N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 43604765
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-fluorobenzenesulfonamide
CID 24650300
2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide
CID 62811983
N-(6-bromo-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103775603
N-(6-chloro-5-methyl-3-pyridinyl)-1-phenylmethanesulfonamide
CID 103868547
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104826706

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide (CID 103744911) is N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccccc2F)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide?
The InChIKey is NPOYSSVHESQGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c1-8-6-9(7-15-12(8)13)16-19(17,18)11-5-3-2-4-10(11)14/h2-7,16H,1H3.
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide?
N-(6-chloro-5-methyl-3-pyridinyl)-2-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)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103744911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).