furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C13H14N2O4S2 — CID 756358

IUPACfuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H14N2O4S2/c16-13(11-3-1-9-19-11)14-5-7-15(8-6-14)21(17,18)12-4-2-10-20-12/h1-4,9-10H,5-8H2
InChIKeyDZSMVTSUROBTNA-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.49
Rot. Bonds3

About furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 756358) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID756358
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Namefuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1ccco1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C13H14N2O4S2/c16-13(11-3-1-9-19-11)14-5-7-15(8-6-14)21(17,18)12-4-2-10-20-12/h1-4,9-10H,5-8H2
InChIKeyDZSMVTSUROBTNA-UHFFFAOYSA-N
XLogP1.49
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(furan-2-carbonyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 3243073
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 110397722
(3-methylfuran-2-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17410586
N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide
CID 9477271
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide
CID 18382172
[4-(5-ethylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 110798086
2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one
CID 9496445
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217513
(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068388

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 756358) is furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(c1ccco1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is DZSMVTSUROBTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c16-13(11-3-1-9-19-11)14-5-7-15(8-6-14)21(17,18)12-4-2-10-20-12/h1-4,9-10H,5-8H2.
What are the key properties of furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 756358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).