6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one

C18H17N3O4S — CID 55560079

IUPAC6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
SMILESO=c1ccc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc2o1
InChIInChI=1S/C18H17N3O4S/c22-18-7-4-14-13-15(5-6-16(14)25-18)26(23,24)21-11-9-20(10-12-21)17-3-1-2-8-19-17/h1-8,13H,9-12H2
InChIKeyNWKUCLUQAAIEMV-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.70
Rot. Bonds3

About 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one

6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one (PubChem CID 55560079) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one.

Molecular Properties

Compound Name6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
PubChem CID55560079
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
SMILESO=c1ccc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc2o1
InChIInChI=1S/C18H17N3O4S/c22-18-7-4-14-13-15(5-6-16(14)25-18)26(23,24)21-11-9-20(10-12-21)17-3-1-2-8-19-17/h1-8,13H,9-12H2
InChIKeyNWKUCLUQAAIEMV-UHFFFAOYSA-N
XLogP1.70
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
CID 35405989
6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one
CID 1248585
6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one
CID 2987419
6-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylchromen-2-one
CID 146075208
6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one
CID 43556312
2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
CID 4836430
1-methyl-8-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromeno[3,4-d]imidazol-4-one
CID 23004574
2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile
CID 24678232
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-pyridin-2-ylpiperazine
CID 55346773
6-[3-(pyridine-2-carbonyl)piperidin-1-yl]sulfonylchromen-2-one
CID 171910398
7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341334
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazine
CID 18144515

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one?
The IUPAC name of 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one (CID 55560079) is 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one.
What is the SMILES notation for 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one?
The canonical SMILES for 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one is O=c1ccc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc2o1.
What is the InChIKey of 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one?
The InChIKey is NWKUCLUQAAIEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c22-18-7-4-14-13-15(5-6-16(14)25-18)26(23,24)21-11-9-20(10-12-21)17-3-1-2-8-19-17/h1-8,13H,9-12H2.
What are the key properties of 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one?
6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one has a molecular weight of 371.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one is sourced from PubChem (CID 55560079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).