4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide

C17H20N2O4S — CID 138024921

IUPAC4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2CCN(C(=O)Cc3ccco3)CC2)cc1
InChIInChI=1S/C17H20N2O4S/c18-24(21,22)16-5-3-13(4-6-16)14-7-9-19(10-8-14)17(20)12-15-2-1-11-23-15/h1-6,11,14H,7-10,12H2,(H2,18,21,22)
InChIKeyROGMWQNKECQLIE-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.88
Rot. Bonds4

About 4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide

4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 138024921) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide
PubChem CID138024921
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2CCN(C(=O)Cc3ccco3)CC2)cc1
InChIInChI=1S/C17H20N2O4S/c18-24(21,22)16-5-3-13(4-6-16)14-7-9-19(10-8-14)17(20)12-15-2-1-11-23-15/h1-6,11,14H,7-10,12H2,(H2,18,21,22)
InChIKeyROGMWQNKECQLIE-UHFFFAOYSA-N
XLogP1.88
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone
CID 83619262
1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 55338572
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308
1-[(5aS,8aR)-4-methylsulfonyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-2-(furan-2-yl)ethanone
CID 124783385
2-[3-(furan-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110310919
ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
CID 110690641
2-[(4-cyclohexylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254541
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 60719075
1-(furan-2-carbonyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 6497474
1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331
1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanone
CID 167784706
1-[4-(furan-2-ylmethylsulfonyl)piperidin-1-yl]-3-naphthalen-1-ylpropan-1-one
CID 90590502

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide (CID 138024921) is 4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2CCN(C(=O)Cc3ccco3)CC2)cc1.
What is the InChIKey of 4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is ROGMWQNKECQLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c18-24(21,22)16-5-3-13(4-6-16)14-7-9-19(10-8-14)17(20)12-15-2-1-11-23-15/h1-6,11,14H,7-10,12H2,(H2,18,21,22).
What are the key properties of 4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide?
4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 138024921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).