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

C18H22N2O4S — CID 3846584

IUPACfuran-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H22N2O4S/c1-14(2)15-5-7-16(8-6-15)25(22,23)20-11-9-19(10-12-20)18(21)17-4-3-13-24-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyAXINTJCSUMNFQA-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.55
Rot. Bonds4

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

furan-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 3846584) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is furan-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID3846584
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Namefuran-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H22N2O4S/c1-14(2)15-5-7-16(8-6-15)25(22,23)20-11-9-19(10-12-20)18(21)17-4-3-13-24-17/h3-8,13-14H,9-12H2,1-2H3
InChIKeyAXINTJCSUMNFQA-UHFFFAOYSA-N
XLogP2.55
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone (CID 3846584) is furan-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone is CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of furan-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is AXINTJCSUMNFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14(2)15-5-7-16(8-6-15)25(22,23)20-11-9-19(10-12-20)18(21)17-4-3-13-24-17/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of furan-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
furan-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 362.45 g/mol, XLogP of 2.55, 4 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-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 3846584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).