N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide

C23H26N2O4S — CID 130214962

IUPACN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2ccco2)CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H26N2O4S/c26-30(27,23-10-8-21(9-11-23)29-20-5-2-1-3-6-20)24-17-19-12-14-25(15-13-19)18-22-7-4-16-28-22/h1-11,16,19,24H,12-15,17-18H2
InChIKeyQIUYTSGTZDNVEH-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.26
Rot. Bonds8

About N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide

N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide (PubChem CID 130214962) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide
PubChem CID130214962
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC NameN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2ccco2)CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H26N2O4S/c26-30(27,23-10-8-21(9-11-23)29-20-5-2-1-3-6-20)24-17-19-12-14-25(15-13-19)18-22-7-4-16-28-22/h1-11,16,19,24H,12-15,17-18H2
InChIKeyQIUYTSGTZDNVEH-UHFFFAOYSA-N
XLogP4.26
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide (CID 130214962) is N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide is O=S(=O)(NCC1CCN(Cc2ccco2)CC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide?
The InChIKey is QIUYTSGTZDNVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c26-30(27,23-10-8-21(9-11-23)29-20-5-2-1-3-6-20)24-17-19-12-14-25(15-13-19)18-22-7-4-16-28-22/h1-11,16,19,24H,12-15,17-18H2.
What are the key properties of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide?
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide has a molecular weight of 426.54 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 130214962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).