methyl 5-[(4-fluorophenyl)sulfonylcarbamoyl]pyridine-2-carboxylate

C14H11FN2O5S — CID 19928206

IUPACmethyl 5-[(4-fluorophenyl)sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C14H11FN2O5S/c1-22-14(19)12-7-2-9(8-16-12)13(18)17-23(20,21)11-5-3-10(15)4-6-11/h2-8H,1H3,(H,17,18)
InChIKeyRGRUHMYBTIOXLM-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.13
Rot. Bonds4

About methyl 5-[(4-fluorophenyl)sulfonylcarbamoyl]pyridine-2-carboxylate

methyl 5-[(4-fluorophenyl)sulfonylcarbamoyl]pyridine-2-carboxylate (PubChem CID 19928206) has the molecular formula C14H11FN2O5S and a molecular weight of 338.32 g/mol. Its IUPAC name is methyl 5-[(4-fluorophenyl)sulfonylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-fluorophenyl)sulfonylcarbamoyl]pyridine-2-carboxylate
PubChem CID19928206
Molecular FormulaC14H11FN2O5S
Molecular Weight338.32 g/mol
Exact Mass338.04
IUPAC Namemethyl 5-[(4-fluorophenyl)sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(F)cc2)cn1
InChIInChI=1S/C14H11FN2O5S/c1-22-14(19)12-7-2-9(8-16-12)13(18)17-23(20,21)11-5-3-10(15)4-6-11/h2-8H,1H3,(H,17,18)
InChIKeyRGRUHMYBTIOXLM-UHFFFAOYSA-N
XLogP1.13
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-fluorophenyl)sulfonylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[(4-fluorophenyl)sulfonylcarbamoyl]pyridine-2-carboxylate (CID 19928206) is methyl 5-[(4-fluorophenyl)sulfonylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-fluorophenyl)sulfonylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(4-fluorophenyl)sulfonylcarbamoyl]pyridine-2-carboxylate is COC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(F)cc2)cn1.
What is the InChIKey of methyl 5-[(4-fluorophenyl)sulfonylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is RGRUHMYBTIOXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O5S/c1-22-14(19)12-7-2-9(8-16-12)13(18)17-23(20,21)11-5-3-10(15)4-6-11/h2-8H,1H3,(H,17,18).
What are the key properties of methyl 5-[(4-fluorophenyl)sulfonylcarbamoyl]pyridine-2-carboxylate?
methyl 5-[(4-fluorophenyl)sulfonylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 338.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-fluorophenyl)sulfonylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 19928206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).