ethyl 6-[(5-chloro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxylate

C21H22ClN3O5S — CID 155233781

IUPACethyl 6-[(5-chloro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(S(=O)(=O)Nc3cc(Cl)cnc3N3CCCCC3)cc2o1
InChIInChI=1S/C21H22ClN3O5S/c1-2-29-21(26)19-10-14-6-7-16(12-18(14)30-19)31(27,28)24-17-11-15(22)13-23-20(17)25-8-4-3-5-9-25/h6-7,10-13,24H,2-5,8-9H2,1H3
InChIKeyYHEOZZRVHWHXDW-UHFFFAOYSA-N
MW463.94 g/mol
LogP4.45
Rot. Bonds6

About ethyl 6-[(5-chloro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxylate

ethyl 6-[(5-chloro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxylate (PubChem CID 155233781) has the molecular formula C21H22ClN3O5S and a molecular weight of 463.94 g/mol. Its IUPAC name is ethyl 6-[(5-chloro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(5-chloro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxylate
PubChem CID155233781
Molecular FormulaC21H22ClN3O5S
Molecular Weight463.94 g/mol
Exact Mass463.10
IUPAC Nameethyl 6-[(5-chloro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(S(=O)(=O)Nc3cc(Cl)cnc3N3CCCCC3)cc2o1
InChIInChI=1S/C21H22ClN3O5S/c1-2-29-21(26)19-10-14-6-7-16(12-18(14)30-19)31(27,28)24-17-11-15(22)13-23-20(17)25-8-4-3-5-9-25/h6-7,10-13,24H,2-5,8-9H2,1H3
InChIKeyYHEOZZRVHWHXDW-UHFFFAOYSA-N
XLogP4.45
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.94
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[(5-chloro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(5-chloro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 6-[(5-chloro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxylate (CID 155233781) is ethyl 6-[(5-chloro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 6-[(5-chloro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 6-[(5-chloro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxylate is CCOC(=O)c1cc2ccc(S(=O)(=O)Nc3cc(Cl)cnc3N3CCCCC3)cc2o1.
What is the InChIKey of ethyl 6-[(5-chloro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxylate?
The InChIKey is YHEOZZRVHWHXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O5S/c1-2-29-21(26)19-10-14-6-7-16(12-18(14)30-19)31(27,28)24-17-11-15(22)13-23-20(17)25-8-4-3-5-9-25/h6-7,10-13,24H,2-5,8-9H2,1H3.
What are the key properties of ethyl 6-[(5-chloro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxylate?
ethyl 6-[(5-chloro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxylate has a molecular weight of 463.94 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(5-chloro-2-piperidin-1-yl-3-pyridinyl)sulfamoyl]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 155233781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).