5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide

C18H21FN4O3S — CID 55853518

IUPAC5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CN2CCN(c3cccc(F)c3C#N)CC2)o1
InChIInChI=1S/C18H21FN4O3S/c1-21(2)27(24,25)18-7-6-14(26-18)13-22-8-10-23(11-9-22)17-5-3-4-16(19)15(17)12-20/h3-7H,8-11,13H2,1-2H3
InChIKeyHNNYUVWTDRDJJB-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.86
Rot. Bonds5

About 5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide

5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 55853518) has the molecular formula C18H21FN4O3S and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
PubChem CID55853518
Molecular FormulaC18H21FN4O3S
Molecular Weight392.46 g/mol
Exact Mass392.13
IUPAC Name5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CN2CCN(c3cccc(F)c3C#N)CC2)o1
InChIInChI=1S/C18H21FN4O3S/c1-21(2)27(24,25)18-7-6-14(26-18)13-22-8-10-23(11-9-22)17-5-3-4-16(19)15(17)12-20/h3-7H,8-11,13H2,1-2H3
InChIKeyHNNYUVWTDRDJJB-UHFFFAOYSA-N
XLogP1.86
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55731165
2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 55680557
5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 110899350
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-fluorobenzonitrile
CID 9025341
5-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 55828293
2-fluoro-6-[4-(5-hydroxypentyl)piperazin-1-yl]benzonitrile
CID 110923709
2-[4-(dimethylamino)piperidin-1-yl]-6-fluorobenzonitrile
CID 78916048
5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide
CID 86776822
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-6-fluorobenzonitrile
CID 37122929
2-fluoro-6-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 9025126
2-fluoro-6-(4-methyl-1,4-diazepan-1-yl)benzonitrile
CID 47114120
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-fluorobenzonitrile
CID 33482411

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide (CID 55853518) is 5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CN2CCN(c3cccc(F)c3C#N)CC2)o1.
What is the InChIKey of 5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is HNNYUVWTDRDJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3S/c1-21(2)27(24,25)18-7-6-14(26-18)13-22-8-10-23(11-9-22)17-5-3-4-16(19)15(17)12-20/h3-7H,8-11,13H2,1-2H3.
What are the key properties of 5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide?
5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 392.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 55853518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).