furan-2-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone

C16H18N2O4S — CID 2241236

IUPACfuran-2-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C16H18N2O4S/c1-13-4-2-5-14(12-13)23(20,21)18-9-7-17(8-10-18)16(19)15-6-3-11-22-15/h2-6,11-12H,7-10H2,1H3
InChIKeyYKRHRZCNEHKYFC-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.73
Rot. Bonds3

About furan-2-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone

furan-2-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 2241236) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is furan-2-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID2241236
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Namefuran-2-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C16H18N2O4S/c1-13-4-2-5-14(12-13)23(20,21)18-9-7-17(8-10-18)16(19)15-6-3-11-22-15/h2-6,11-12H,7-10H2,1H3
InChIKeyYKRHRZCNEHKYFC-UHFFFAOYSA-N
XLogP1.73
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-{[3-Methyl-5-(pyrrolidin-1-ylsulfonyl)-1-benzofuran-2-yl]carbonyl}morpholine
CID 3239857
N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 738317
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 839099
4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone (CID 2241236) is furan-2-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of furan-2-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is YKRHRZCNEHKYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-13-4-2-5-14(12-13)23(20,21)18-9-7-17(8-10-18)16(19)15-6-3-11-22-15/h2-6,11-12H,7-10H2,1H3.
What are the key properties of furan-2-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone?
furan-2-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 334.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 2241236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).