3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine

C14H13FN2O4S — CID 154880992

IUPAC3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine
SMILESCc1ccccc1N(C)C(=O)c1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C14H13FN2O4S/c1-10-5-3-4-6-13(10)17(2)14(18)11-7-12(9-16-8-11)21-22(15,19)20/h3-9H,1-2H3
InChIKeyGKWFPVTYDUVVLX-UHFFFAOYSA-N
MW324.33 g/mol
LogP2.26
Rot. Bonds4

About 3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine

3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine (PubChem CID 154880992) has the molecular formula C14H13FN2O4S and a molecular weight of 324.33 g/mol. Its IUPAC name is 3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine.

Molecular Properties

Compound Name3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine
PubChem CID154880992
Molecular FormulaC14H13FN2O4S
Molecular Weight324.33 g/mol
Exact Mass324.06
IUPAC Name3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine
SMILESCc1ccccc1N(C)C(=O)c1cncc(OS(=O)(=O)F)c1
InChIInChI=1S/C14H13FN2O4S/c1-10-5-3-4-6-13(10)17(2)14(18)11-7-12(9-16-8-11)21-22(15,19)20/h3-9H,1-2H3
InChIKeyGKWFPVTYDUVVLX-UHFFFAOYSA-N
XLogP2.26
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine?
The IUPAC name of 3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine (CID 154880992) is 3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine.
What is the SMILES notation for 3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine?
The canonical SMILES for 3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine is Cc1ccccc1N(C)C(=O)c1cncc(OS(=O)(=O)F)c1.
What is the InChIKey of 3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine?
The InChIKey is GKWFPVTYDUVVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4S/c1-10-5-3-4-6-13(10)17(2)14(18)11-7-12(9-16-8-11)21-22(15,19)20/h3-9H,1-2H3.
What are the key properties of 3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine?
3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine has a molecular weight of 324.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine is sourced from PubChem (CID 154880992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).