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

C16H18N2O4S — CID 2167092

IUPACfuran-2-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C16H18N2O4S/c1-13-4-6-14(7-5-13)23(20,21)18-10-8-17(9-11-18)16(19)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3
InChIKeyKBIJOMUAIJBJRE-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.73
Rot. Bonds3

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

furan-2-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 2167092) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is furan-2-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID2167092
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Namefuran-2-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C16H18N2O4S/c1-13-4-6-14(7-5-13)23(20,21)18-10-8-17(9-11-18)16(19)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3
InChIKeyKBIJOMUAIJBJRE-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
Furan-2-carboxamide deriv., 16
CID 44236902
(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
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-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (CID 2167092) is furan-2-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of furan-2-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is KBIJOMUAIJBJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-13-4-6-14(7-5-13)23(20,21)18-10-8-17(9-11-18)16(19)15-3-2-12-22-15/h2-7,12H,8-11H2,1H3.
What are the key properties of furan-2-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
furan-2-yl-[4-(4-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-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 2167092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).