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

C13H9ClFN3O2S — CID 103761376

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(F)c2C#N)cnc1Cl
InChIInChI=1S/C13H9ClFN3O2S/c1-8-5-9(7-17-13(8)14)18-21(19,20)12-4-2-3-11(15)10(12)6-16/h2-5,7,18H,1H3
InChIKeyRGJVZQKFFLHGOS-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.86
Rot. Bonds3

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

N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide (PubChem CID 103761376) has the molecular formula C13H9ClFN3O2S and a molecular weight of 325.75 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
PubChem CID103761376
Molecular FormulaC13H9ClFN3O2S
Molecular Weight325.75 g/mol
Exact Mass325.01
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(F)c2C#N)cnc1Cl
InChIInChI=1S/C13H9ClFN3O2S/c1-8-5-9(7-17-13(8)14)18-21(19,20)12-4-2-3-11(15)10(12)6-16/h2-5,7,18H,1H3
InChIKeyRGJVZQKFFLHGOS-UHFFFAOYSA-N
XLogP2.86
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-fluorobenzenesulfonamide
CID 103744911
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744916
N-(5-bromo-4-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79736142
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744848
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 113253371
N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103744880
N-(3-amino-4-bromophenyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79753588
N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide
CID 103744866
2-cyano-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956176
N-(5-bromo-6-methyl-2-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide
CID 79041116
2-cyano-3-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116787114
2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide
CID 62811983

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide (CID 103761376) is N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2cccc(F)c2C#N)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide?
The InChIKey is RGJVZQKFFLHGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2S/c1-8-5-9(7-17-13(8)14)18-21(19,20)12-4-2-3-11(15)10(12)6-16/h2-5,7,18H,1H3.
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide?
N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide has a molecular weight of 325.75 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-2-cyano-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103761376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).