2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-fluorobenzenesulfonamide

C13H12ClFN2O2S — CID 91661732

IUPAC2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-fluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)c(C)n1
InChIInChI=1S/C13H12ClFN2O2S/c1-8-6-7-12(9(2)16-8)17-20(18,19)13-10(14)4-3-5-11(13)15/h3-7,17H,1-2H3
InChIKeyXWLVAIMYPSHLGE-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.29
Rot. Bonds3

About 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-fluorobenzenesulfonamide

2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-fluorobenzenesulfonamide (PubChem CID 91661732) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-fluorobenzenesulfonamide
PubChem CID91661732
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC Name2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-fluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)c(C)n1
InChIInChI=1S/C13H12ClFN2O2S/c1-8-6-7-12(9(2)16-8)17-20(18,19)13-10(14)4-3-5-11(13)15/h3-7,17H,1-2H3
InChIKeyXWLVAIMYPSHLGE-UHFFFAOYSA-N
XLogP3.29
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-(6-chloro-2-methyl-3-pyridinyl)benzenesulfonamide
CID 107266790
2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide
CID 86803070
3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide
CID 115687718
2-chloro-6-fluoro-N-(4-methoxy-2-pyridinyl)benzenesulfonamide
CID 86803068
2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide
CID 75458673
N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 113349565
N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 3844257
N-(2,6-dichlorophenyl)sulfonyl-2-(2,6-difluorophenyl)-1-methylimidazole-4-carboxamide
CID 147083151
3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103098192
2-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734195
2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol
CID 112555002
N-(2,6-dimethyl-3-pyridinyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071129

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-fluorobenzenesulfonamide (CID 91661732) is 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-fluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)c(C)n1.
What is the InChIKey of 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-fluorobenzenesulfonamide?
The InChIKey is XWLVAIMYPSHLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c1-8-6-7-12(9(2)16-8)17-20(18,19)13-10(14)4-3-5-11(13)15/h3-7,17H,1-2H3.
What are the key properties of 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-fluorobenzenesulfonamide?
2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-fluorobenzenesulfonamide has a molecular weight of 314.77 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-fluorobenzenesulfonamide is sourced from PubChem (CID 91661732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).