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

C17H16N4O4S — CID 35405989

IUPAC6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
SMILESO=c1ccc2cc(S(=O)(=O)N3CCN(c4cnccn4)CC3)ccc2o1
InChIInChI=1S/C17H16N4O4S/c22-17-4-1-13-11-14(2-3-15(13)25-17)26(23,24)21-9-7-20(8-10-21)16-12-18-5-6-19-16/h1-6,11-12H,7-10H2
InChIKeyNUZQCHRKPMKOJC-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.09
Rot. Bonds3

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

6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one (PubChem CID 35405989) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one.

Molecular Properties

Compound Name6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
PubChem CID35405989
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
SMILESO=c1ccc2cc(S(=O)(=O)N3CCN(c4cnccn4)CC3)ccc2o1
InChIInChI=1S/C17H16N4O4S/c22-17-4-1-13-11-14(2-3-15(13)25-17)26(23,24)21-9-7-20(8-10-21)16-12-18-5-6-19-16/h1-6,11-12H,7-10H2
InChIKeyNUZQCHRKPMKOJC-UHFFFAOYSA-N
XLogP1.09
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
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6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one
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2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]pyrazine
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6-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylchromen-2-one
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2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 23762678
6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one
CID 2987419
6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one
CID 43556312
2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile
CID 24678232
2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide
CID 172906846
N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide
CID 42317966
6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22055302

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one?
The IUPAC name of 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one (CID 35405989) is 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one.
What is the SMILES notation for 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one?
The canonical SMILES for 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one is O=c1ccc2cc(S(=O)(=O)N3CCN(c4cnccn4)CC3)ccc2o1.
What is the InChIKey of 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one?
The InChIKey is NUZQCHRKPMKOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c22-17-4-1-13-11-14(2-3-15(13)25-17)26(23,24)21-9-7-20(8-10-21)16-12-18-5-6-19-16/h1-6,11-12H,7-10H2.
What are the key properties of 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one?
6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one has a molecular weight of 372.41 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one is sourced from PubChem (CID 35405989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).