methyl 3-[(2-fluoro-5-phenylphenyl)sulfamoyl]pyridine-2-carboxylate

C19H15FN2O4S — CID 146600938

IUPACmethyl 3-[(2-fluoro-5-phenylphenyl)sulfamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1S(=O)(=O)Nc1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C19H15FN2O4S/c1-26-19(23)18-17(8-5-11-21-18)27(24,25)22-16-12-14(9-10-15(16)20)13-6-3-2-4-7-13/h2-12,22H,1H3
InChIKeyJXYBALJUEVVDHU-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.48
Rot. Bonds5

About methyl 3-[(2-fluoro-5-phenylphenyl)sulfamoyl]pyridine-2-carboxylate

methyl 3-[(2-fluoro-5-phenylphenyl)sulfamoyl]pyridine-2-carboxylate (PubChem CID 146600938) has the molecular formula C19H15FN2O4S and a molecular weight of 386.40 g/mol. Its IUPAC name is methyl 3-[(2-fluoro-5-phenylphenyl)sulfamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-fluoro-5-phenylphenyl)sulfamoyl]pyridine-2-carboxylate
PubChem CID146600938
Molecular FormulaC19H15FN2O4S
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC Namemethyl 3-[(2-fluoro-5-phenylphenyl)sulfamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1S(=O)(=O)Nc1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C19H15FN2O4S/c1-26-19(23)18-17(8-5-11-21-18)27(24,25)22-16-12-14(9-10-15(16)20)13-6-3-2-4-7-13/h2-12,22H,1H3
InChIKeyJXYBALJUEVVDHU-UHFFFAOYSA-N
XLogP3.48
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-fluoro-5-phenylphenyl)sulfamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[(2-fluoro-5-phenylphenyl)sulfamoyl]pyridine-2-carboxylate (CID 146600938) is methyl 3-[(2-fluoro-5-phenylphenyl)sulfamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-fluoro-5-phenylphenyl)sulfamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[(2-fluoro-5-phenylphenyl)sulfamoyl]pyridine-2-carboxylate is COC(=O)c1ncccc1S(=O)(=O)Nc1cc(-c2ccccc2)ccc1F.
What is the InChIKey of methyl 3-[(2-fluoro-5-phenylphenyl)sulfamoyl]pyridine-2-carboxylate?
The InChIKey is JXYBALJUEVVDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4S/c1-26-19(23)18-17(8-5-11-21-18)27(24,25)22-16-12-14(9-10-15(16)20)13-6-3-2-4-7-13/h2-12,22H,1H3.
What are the key properties of methyl 3-[(2-fluoro-5-phenylphenyl)sulfamoyl]pyridine-2-carboxylate?
methyl 3-[(2-fluoro-5-phenylphenyl)sulfamoyl]pyridine-2-carboxylate has a molecular weight of 386.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-fluoro-5-phenylphenyl)sulfamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 146600938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).