4-[4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

C17H19N3O5S — CID 164611352

IUPAC4-[4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1ccoc1C(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H19N3O5S/c1-12-6-11-25-15(12)17(22)20-9-7-19(8-10-20)16(21)13-2-4-14(5-3-13)26(18,23)24/h2-6,11H,7-10H2,1H3,(H2,18,23,24)
InChIKeyLRWYTOMFGJWYFE-UHFFFAOYSA-N
MW377.42 g/mol
LogP0.83
Rot. Bonds3

About 4-[4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide

4-[4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 164611352) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 4-[4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID164611352
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name4-[4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCc1ccoc1C(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H19N3O5S/c1-12-6-11-25-15(12)17(22)20-9-7-19(8-10-20)16(21)13-2-4-14(5-3-13)26(18,23)24/h2-6,11H,7-10H2,1H3,(H2,18,23,24)
InChIKeyLRWYTOMFGJWYFE-UHFFFAOYSA-N
XLogP0.83
TPSA113.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide (CID 164611352) is 4-[4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is Cc1ccoc1C(=O)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is LRWYTOMFGJWYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-12-6-11-25-15(12)17(22)20-9-7-19(8-10-20)16(21)13-2-4-14(5-3-13)26(18,23)24/h2-6,11H,7-10H2,1H3,(H2,18,23,24).
What are the key properties of 4-[4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide?
4-[4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 377.42 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylfuran-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 164611352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).