ethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate

C24H24N2O5S — CID 55851016

IUPACethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)o1
InChIInChI=1S/C24H24N2O5S/c1-2-30-24(27)21-11-12-22(31-21)32(28,29)26-15-13-25(14-16-26)23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-12,23H,2,13-16H2,1H3
InChIKeyDPFKLORJBLBVJE-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.53
Rot. Bonds5

About ethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate

ethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate (PubChem CID 55851016) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is ethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate
PubChem CID55851016
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Nameethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)o1
InChIInChI=1S/C24H24N2O5S/c1-2-30-24(27)21-11-12-22(31-21)32(28,29)26-15-13-25(14-16-26)23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-12,23H,2,13-16H2,1H3
InChIKeyDPFKLORJBLBVJE-UHFFFAOYSA-N
XLogP3.53
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate?
The IUPAC name of ethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate (CID 55851016) is ethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate.
What is the SMILES notation for ethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate?
The canonical SMILES for ethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate is CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)o1.
What is the InChIKey of ethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate?
The InChIKey is DPFKLORJBLBVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-2-30-24(27)21-11-12-22(31-21)32(28,29)26-15-13-25(14-16-26)23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-12,23H,2,13-16H2,1H3.
What are the key properties of ethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate?
ethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate has a molecular weight of 452.53 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-(9H-fluoren-9-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate is sourced from PubChem (CID 55851016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).