2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide

C24H23N3O8S2 — CID 172906846

IUPAC2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCCN3CCN(S(=O)(=O)c4ccc5oc(=O)ccc5c4)CC3)ccc2o1
InChIInChI=1S/C24H23N3O8S2/c28-23-7-1-17-15-19(3-5-21(17)34-23)36(30,31)25-9-10-26-11-13-27(14-12-26)37(32,33)20-4-6-22-18(16-20)2-8-24(29)35-22/h1-8,15-16,25H,9-14H2
InChIKeyQZCGDBVWUWSABK-UHFFFAOYSA-N
MW545.60 g/mol
LogP1.18
Rot. Bonds7

About 2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide

2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide (PubChem CID 172906846) has the molecular formula C24H23N3O8S2 and a molecular weight of 545.60 g/mol. Its IUPAC name is 2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide
PubChem CID172906846
Molecular FormulaC24H23N3O8S2
Molecular Weight545.60 g/mol
Exact Mass545.09
IUPAC Name2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCCN3CCN(S(=O)(=O)c4ccc5oc(=O)ccc5c4)CC3)ccc2o1
InChIInChI=1S/C24H23N3O8S2/c28-23-7-1-17-15-19(3-5-21(17)34-23)36(30,31)25-9-10-26-11-13-27(14-12-26)37(32,33)20-4-6-22-18(16-20)2-8-24(29)35-22/h1-8,15-16,25H,9-14H2
InChIKeyQZCGDBVWUWSABK-UHFFFAOYSA-N
XLogP1.18
TPSA147.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.60
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide
CID 62664267
6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one
CID 1248585
6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one
CID 43556312
N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
CID 119973429
3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 100653397
N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide
CID 107319443
2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
CID 24677933
6-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylchromen-2-one;hydrochloride
CID 119990207
N-(3-hydroxybutyl)-2-oxochromene-6-sulfonamide
CID 64910819
6-[4-(2,6-dimethylphenyl)piperazin-1-yl]sulfonylchromen-2-one
CID 146075208
2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]sulfonylbenzonitrile
CID 24678232
6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one
CID 2987419

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide?
The IUPAC name of 2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide (CID 172906846) is 2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide?
The canonical SMILES for 2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide is O=c1ccc2cc(S(=O)(=O)NCCN3CCN(S(=O)(=O)c4ccc5oc(=O)ccc5c4)CC3)ccc2o1.
What is the InChIKey of 2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide?
The InChIKey is QZCGDBVWUWSABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O8S2/c28-23-7-1-17-15-19(3-5-21(17)34-23)36(30,31)25-9-10-26-11-13-27(14-12-26)37(32,33)20-4-6-22-18(16-20)2-8-24(29)35-22/h1-8,15-16,25H,9-14H2.
What are the key properties of 2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide?
2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide has a molecular weight of 545.60 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide is sourced from PubChem (CID 172906846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).