2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one

C18H16N2O5S2 — CID 9496445

IUPAC2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H16N2O5S2/c21-14-12-16(25-15-5-2-1-4-13(14)15)18(22)19-7-9-20(10-8-19)27(23,24)17-6-3-11-26-17/h1-6,11-12H,7-10H2
InChIKeyDJEIUWVHGIQKOL-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.00
Rot. Bonds3

About 2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one

2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one (PubChem CID 9496445) has the molecular formula C18H16N2O5S2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one.

Molecular Properties

Compound Name2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one
PubChem CID9496445
Molecular FormulaC18H16N2O5S2
Molecular Weight404.47 g/mol
Exact Mass404.05
IUPAC Name2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H16N2O5S2/c21-14-12-16(25-15-5-2-1-4-13(14)15)18(22)19-7-9-20(10-8-19)27(23,24)17-6-3-11-26-17/h1-6,11-12H,7-10H2
InChIKeyDJEIUWVHGIQKOL-UHFFFAOYSA-N
XLogP2.00
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one
CID 27563251
2-(thiomorpholine-4-carbonyl)chromen-4-one
CID 22107022
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217513
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
2-propan-2-yl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)phthalazin-1-one
CID 2551523
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]chromen-4-one
CID 9081959
2-(1,2-benzoxazol-3-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 9326726
(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068388
4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide
CID 18382172
2-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]chromen-4-one
CID 122334648

Frequently Asked Questions

What is the IUPAC name of 2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one?
The IUPAC name of 2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one (CID 9496445) is 2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one.
What is the SMILES notation for 2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one?
The canonical SMILES for 2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one is O=C(c1cc(=O)c2ccccc2o1)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one?
The InChIKey is DJEIUWVHGIQKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S2/c21-14-12-16(25-15-5-2-1-4-13(14)15)18(22)19-7-9-20(10-8-19)27(23,24)17-6-3-11-26-17/h1-6,11-12H,7-10H2.
What are the key properties of 2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one?
2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one has a molecular weight of 404.47 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)chromen-4-one is sourced from PubChem (CID 9496445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).