5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride

C14H22ClF3N4O4S — CID 120811580

IUPAC5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)o1.Cl
InChIInChI=1S/C14H21F3N4O4S.ClH/c1-20(2)26(23,24)12-4-3-10(25-12)13(22)19-9-11(14(15,16)17)21-7-5-18-6-8-21;/h3-4,11,18H,5-9H2,1-2H3,(H,19,22);1H
InChIKeyQOZHLOOLHSPTBP-UHFFFAOYSA-N
MW434.87 g/mol
LogP0.52
Rot. Bonds6

About 5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride

5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride (PubChem CID 120811580) has the molecular formula C14H22ClF3N4O4S and a molecular weight of 434.87 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
PubChem CID120811580
Molecular FormulaC14H22ClF3N4O4S
Molecular Weight434.87 g/mol
Exact Mass434.10
IUPAC Name5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)o1.Cl
InChIInChI=1S/C14H21F3N4O4S.ClH/c1-20(2)26(23,24)12-4-3-10(25-12)13(22)19-9-11(14(15,16)17)21-7-5-18-6-8-21;/h3-4,11,18H,5-9H2,1-2H3,(H,19,22);1H
InChIKeyQOZHLOOLHSPTBP-UHFFFAOYSA-N
XLogP0.52
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.87
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 120812658
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 120811758
ethyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-2-carboxylate;hydrochloride
CID 120778569
5-(dimethylsulfamoyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 43427872
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
2-(4-chlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811781
2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812420
4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812517
2-(methanesulfonamido)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813828
4-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812332
4-cyano-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813148
3-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 120812450

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride (CID 120811580) is 5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride is CN(C)S(=O)(=O)c1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)o1.Cl.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride?
The InChIKey is QOZHLOOLHSPTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O4S.ClH/c1-20(2)26(23,24)12-4-3-10(25-12)13(22)19-9-11(14(15,16)17)21-7-5-18-6-8-21;/h3-4,11,18H,5-9H2,1-2H3,(H,19,22);1H.
What are the key properties of 5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride?
5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride has a molecular weight of 434.87 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 120811580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).