4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide

C17H19N3O5S — CID 19258176

IUPAC4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide
SMILESO=CN1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)CC1
InChIInChI=1S/C17H19N3O5S/c21-13-19-7-9-20(10-8-19)26(23,24)16-5-3-14(4-6-16)17(22)18-12-15-2-1-11-25-15/h1-6,11,13H,7-10,12H2,(H,18,22)
InChIKeyUIDGRIHOXHWGKB-UHFFFAOYSA-N
MW377.42 g/mol
LogP0.67
Rot. Bonds6

About 4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide

4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide (PubChem CID 19258176) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide
PubChem CID19258176
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide
SMILESO=CN1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)CC1
InChIInChI=1S/C17H19N3O5S/c21-13-19-7-9-20(10-8-19)26(23,24)16-5-3-14(4-6-16)17(22)18-12-15-2-1-11-25-15/h1-6,11,13H,7-10,12H2,(H,18,22)
InChIKeyUIDGRIHOXHWGKB-UHFFFAOYSA-N
XLogP0.67
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 19258251
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 19258233
N-(furan-2-ylmethyl)-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 109060522
N-(furan-2-ylmethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 53285943
N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide
CID 109058274
2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138
2-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 4843575
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387560

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide (CID 19258176) is 4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide is O=CN1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)CC1.
What is the InChIKey of 4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide?
The InChIKey is UIDGRIHOXHWGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c21-13-19-7-9-20(10-8-19)26(23,24)16-5-3-14(4-6-16)17(22)18-12-15-2-1-11-25-15/h1-6,11,13H,7-10,12H2,(H,18,22).
What are the key properties of 4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide?
4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide has a molecular weight of 377.42 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 19258176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).