1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine

C18H24N2O4S — CID 113073924

IUPAC1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)cc1
InChIInChI=1S/C18H24N2O4S/c1-15(2)24-16-5-7-18(8-6-16)25(21,22)20-11-9-19(10-12-20)14-17-4-3-13-23-17/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyWRWIKQAVDPSTBP-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.57
Rot. Bonds6

About 1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine

1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine (PubChem CID 113073924) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
PubChem CID113073924
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)cc1
InChIInChI=1S/C18H24N2O4S/c1-15(2)24-16-5-7-18(8-6-16)25(21,22)20-11-9-19(10-12-20)14-17-4-3-13-23-17/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyWRWIKQAVDPSTBP-UHFFFAOYSA-N
XLogP2.57
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine (CID 113073924) is 1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine is CC(C)Oc1ccc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine?
The InChIKey is WRWIKQAVDPSTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-15(2)24-16-5-7-18(8-6-16)25(21,22)20-11-9-19(10-12-20)14-17-4-3-13-23-17/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine?
1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine has a molecular weight of 364.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 113073924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).