2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide

C12H10F2N2O2S — CID 4994622

IUPAC2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCN(c1ccccn1)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H10F2N2O2S/c1-16(11-7-2-3-8-15-11)19(17,18)12-9(13)5-4-6-10(12)14/h2-8H,1H3
InChIKeyMJSPGISAKCMZLQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.18
Rot. Bonds3

About 2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide

2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 4994622) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is 2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID4994622
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCN(c1ccccn1)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C12H10F2N2O2S/c1-16(11-7-2-3-8-15-11)19(17,18)12-9(13)5-4-6-10(12)14/h2-8H,1H3
InChIKeyMJSPGISAKCMZLQ-UHFFFAOYSA-N
XLogP2.18
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide (CID 4994622) is 2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide is CN(c1ccccn1)S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is MJSPGISAKCMZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c1-16(11-7-2-3-8-15-11)19(17,18)12-9(13)5-4-6-10(12)14/h2-8H,1H3.
What are the key properties of 2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide?
2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 284.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 4994622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).