ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride

C14H21ClF3N3O5S — CID 120778569

IUPACethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)o1.Cl
InChIInChI=1S/C14H20F3N3O5S.ClH/c1-2-24-13(21)10-3-4-12(25-10)26(22,23)19-9-11(14(15,16)17)20-7-5-18-6-8-20;/h3-4,11,18-19H,2,5-9H2,1H3;1H
InChIKeyHEMRVWSOFZLCNW-UHFFFAOYSA-N
MW435.85 g/mol
LogP0.99
Rot. Bonds7

About ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride

ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride (PubChem CID 120778569) has the molecular formula C14H21ClF3N3O5S and a molecular weight of 435.85 g/mol. Its IUPAC name is ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride
PubChem CID120778569
Molecular FormulaC14H21ClF3N3O5S
Molecular Weight435.85 g/mol
Exact Mass435.08
IUPAC Nameethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)o1.Cl
InChIInChI=1S/C14H20F3N3O5S.ClH/c1-2-24-13(21)10-3-4-12(25-10)26(22,23)19-9-11(14(15,16)17)20-7-5-18-6-8-20;/h3-4,11,18-19H,2,5-9H2,1H3;1H
InChIKeyHEMRVWSOFZLCNW-UHFFFAOYSA-N
XLogP0.99
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.85
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride 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

methyl 5-methyl-4-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate
CID 120778384
ethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]furan-2-carboxylate;hydrochloride
CID 120664749
ethyl 5-(piperidin-4-ylsulfamoyl)furan-2-carboxylate
CID 119960606
5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 120811580
methyl 2-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]benzoate;hydrochloride
CID 120778601
ethyl 5-[(2-amino-2-cyclopropylethyl)sulfamoyl]furan-2-carboxylate
CID 120582735
5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-sulfonamide;hydrochloride
CID 120778669
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778525
2-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778781
2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778792
3,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide
CID 120778396
ethyl 5-(piperidin-3-ylsulfamoyl)furan-2-carboxylate
CID 119964317

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride (CID 120778569) is ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride is CCOC(=O)c1ccc(S(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)o1.Cl.
What is the InChIKey of ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride?
The InChIKey is HEMRVWSOFZLCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O5S.ClH/c1-2-24-13(21)10-3-4-12(25-10)26(22,23)19-9-11(14(15,16)17)20-7-5-18-6-8-20;/h3-4,11,18-19H,2,5-9H2,1H3;1H.
What are the key properties of ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride?
ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride has a molecular weight of 435.85 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride is sourced from PubChem (CID 120778569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).