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

C16H17N3O5S — CID 164628893

IUPAC4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C16H17N3O5S/c17-25(22,23)13-5-3-12(4-6-13)15(20)18-7-9-19(10-8-18)16(21)14-2-1-11-24-14/h1-6,11H,7-10H2,(H2,17,22,23)
InChIKeyBUYGAWGKHIMJKS-UHFFFAOYSA-N
MW363.39 g/mol
LogP0.53
Rot. Bonds3

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

4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 164628893) has the molecular formula C16H17N3O5S and a molecular weight of 363.39 g/mol. Its IUPAC name is 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID164628893
Molecular FormulaC16H17N3O5S
Molecular Weight363.39 g/mol
Exact Mass363.09
IUPAC Name4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C16H17N3O5S/c17-25(22,23)13-5-3-12(4-6-13)15(20)18-7-9-19(10-8-18)16(21)14-2-1-11-24-14/h1-6,11H,7-10H2,(H2,17,22,23)
InChIKeyBUYGAWGKHIMJKS-UHFFFAOYSA-N
XLogP0.53
TPSA113.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 2905675
Furan-2-carboxamide deriv., 16
CID 44236902
(4-Benzenesulfonyl-piperazin-1-yl)-furan-2-yl-methanone
CID 719657
Furan-2-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 777476
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 2800757
N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171280
N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine
CID 146171282
2-(4-Fluoro-benzenesulfonylamino)-N-furan-2-ylmethyl-N-(phenethylcarbamoyl-methyl)-acetamide
CID 653223
1-[(4-Chlorobenzyl)sulfonyl]-4-(2-furoyl)piperazine
CID 2230064
N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 738317
4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2116217

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (CID 164628893) is 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is BUYGAWGKHIMJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c17-25(22,23)13-5-3-12(4-6-13)15(20)18-7-9-19(10-8-18)16(21)14-2-1-11-24-14/h1-6,11H,7-10H2,(H2,17,22,23).
What are the key properties of 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 363.39 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 164628893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).