N,N-diethyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

C20H25N3O5S — CID 2367236

IUPACN,N-diethyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C20H25N3O5S/c1-3-23(4-2)29(26,27)17-9-7-16(8-10-17)19(24)21-11-13-22(14-12-21)20(25)18-6-5-15-28-18/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyZIWLCIFXFKNXPV-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.91
Rot. Bonds6

About N,N-diethyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

N,N-diethyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 2367236) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N,N-diethyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID2367236
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN,N-diethyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C20H25N3O5S/c1-3-23(4-2)29(26,27)17-9-7-16(8-10-17)19(24)21-11-13-22(14-12-21)20(25)18-6-5-15-28-18/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyZIWLCIFXFKNXPV-UHFFFAOYSA-N
XLogP1.91
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (CID 2367236) is N,N-diethyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is ZIWLCIFXFKNXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-3-23(4-2)29(26,27)17-9-7-16(8-10-17)19(24)21-11-13-22(14-12-21)20(25)18-6-5-15-28-18/h5-10,15H,3-4,11-14H2,1-2H3.
What are the key properties of N,N-diethyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
N,N-diethyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 419.50 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 2367236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).