ethane;furan-2-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

C18H21F3N2O4S — CID 145223125

IUPACethane;furan-2-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
SMILESCC.O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H15F3N2O4S.C2H6/c17-16(18,19)12-3-5-13(6-4-12)26(23,24)21-9-7-20(8-10-21)15(22)14-2-1-11-25-14;1-2/h1-6,11H,7-10H2;1-2H3
InChIKeySQYJBHFLNQHQRF-UHFFFAOYSA-N
MW418.44 g/mol
LogP3.47
Rot. Bonds3

About ethane;furan-2-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

ethane;furan-2-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone (PubChem CID 145223125) has the molecular formula C18H21F3N2O4S and a molecular weight of 418.44 g/mol. Its IUPAC name is ethane;furan-2-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Nameethane;furan-2-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
PubChem CID145223125
Molecular FormulaC18H21F3N2O4S
Molecular Weight418.44 g/mol
Exact Mass418.12
IUPAC Nameethane;furan-2-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
SMILESCC.O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H15F3N2O4S.C2H6/c17-16(18,19)12-3-5-13(6-4-12)26(23,24)21-9-7-20(8-10-21)15(22)14-2-1-11-25-14;1-2/h1-6,11H,7-10H2;1-2H3
InChIKeySQYJBHFLNQHQRF-UHFFFAOYSA-N
XLogP3.47
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;furan-2-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone 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-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 2905675
(4-Benzenesulfonyl-piperazin-1-yl)-furan-2-yl-methanone
CID 719657
Furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 777476
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 2800757
N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171280
N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine
CID 146171282
2-(4-Fluoro-benzenesulfonylamino)-N-furan-2-ylmethyl-N-(phenethylcarbamoyl-methyl)-acetamide
CID 653223
1-[(4-Chlorobenzyl)sulfonyl]-4-(2-furoyl)piperazine
CID 2230064
4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083
[4-(4-Fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 2238809
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2355620
(E)-3-(2-ethoxyphenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 9509480

Frequently Asked Questions

What is the IUPAC name of ethane;furan-2-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The IUPAC name of ethane;furan-2-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone (CID 145223125) is ethane;furan-2-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for ethane;furan-2-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for ethane;furan-2-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone is CC.O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of ethane;furan-2-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
The InChIKey is SQYJBHFLNQHQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S.C2H6/c17-16(18,19)12-3-5-13(6-4-12)26(23,24)21-9-7-20(8-10-21)15(22)14-2-1-11-25-14;1-2/h1-6,11H,7-10H2;1-2H3.
What are the key properties of ethane;furan-2-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone?
ethane;furan-2-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone has a molecular weight of 418.44 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;furan-2-yl-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 145223125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).