ethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate

C19H16FN3O5S — CID 73058476

IUPACethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate
SMILESCCOC(=O)c1cc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)ccc1F
InChIInChI=1S/C19H16FN3O5S/c1-2-28-19(25)15-11-14(6-7-16(15)20)29(26,27)23-10-8-13(12-23)22-18(24)17-5-3-4-9-21-17/h3-12H,2H2,1H3,(H,22,24)
InChIKeyGHCAIIQNRQGZCC-UHFFFAOYSA-N
MW417.42 g/mol
LogP2.69
Rot. Bonds6

About ethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate

ethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate (PubChem CID 73058476) has the molecular formula C19H16FN3O5S and a molecular weight of 417.42 g/mol. Its IUPAC name is ethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate.

Molecular Properties

Compound Nameethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate
PubChem CID73058476
Molecular FormulaC19H16FN3O5S
Molecular Weight417.42 g/mol
Exact Mass417.08
IUPAC Nameethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate
SMILESCCOC(=O)c1cc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)ccc1F
InChIInChI=1S/C19H16FN3O5S/c1-2-28-19(25)15-11-14(6-7-16(15)20)29(26,27)23-10-8-13(12-23)22-18(24)17-5-3-4-9-21-17/h3-12H,2H2,1H3,(H,22,24)
InChIKeyGHCAIIQNRQGZCC-UHFFFAOYSA-N
XLogP2.69
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914667
N-[1-(2-methoxyphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914544
ethyl 5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 60795103
N-[5-methyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 71260417
pyridin-2-ylmethyl 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 25311392
ethyl pyridine-2-carboxylate
CID 17307
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate
CID 28938472
N-[3-(aminomethyl)-4-fluorophenyl]pyridine-2-carboxamide
CID 62317302
ethyl 5-[[4-(benzimidazol-1-yl)phenyl]methylsulfamoyl]-2-fluorobenzoate
CID 167886525
ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 17475562
N-[1-[[2-(2-hydroxyethylimino)-3,4-dihydro-1H-pyridin-5-yl]sulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
CID 137032504

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate?
The IUPAC name of ethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate (CID 73058476) is ethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate.
What is the SMILES notation for ethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate?
The canonical SMILES for ethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate is CCOC(=O)c1cc(S(=O)(=O)n2ccc(NC(=O)c3ccccn3)c2)ccc1F.
What is the InChIKey of ethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate?
The InChIKey is GHCAIIQNRQGZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O5S/c1-2-28-19(25)15-11-14(6-7-16(15)20)29(26,27)23-10-8-13(12-23)22-18(24)17-5-3-4-9-21-17/h3-12H,2H2,1H3,(H,22,24).
What are the key properties of ethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate?
ethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate has a molecular weight of 417.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-5-[3-(pyridine-2-carbonylamino)pyrrol-1-yl]sulfonylbenzoate is sourced from PubChem (CID 73058476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).