6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one

C19H18N2O4S — CID 1248585

IUPAC6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one
SMILESO=c1ccc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2o1
InChIInChI=1S/C19H18N2O4S/c22-19-9-6-15-14-17(7-8-18(15)25-19)26(23,24)21-12-10-20(11-13-21)16-4-2-1-3-5-16/h1-9,14H,10-13H2
InChIKeyRBPNWVRLAZXLFB-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.30
Rot. Bonds3

About 6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one

6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one (PubChem CID 1248585) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one.

Molecular Properties

Compound Name6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one
PubChem CID1248585
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one
SMILESO=c1ccc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2o1
InChIInChI=1S/C19H18N2O4S/c22-19-9-6-15-14-17(7-8-18(15)25-19)26(23,24)21-12-10-20(11-13-21)16-4-2-1-3-5-16/h1-9,14H,10-13H2
InChIKeyRBPNWVRLAZXLFB-UHFFFAOYSA-N
XLogP2.30
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one
CID 2987419
6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
CID 55560079
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-aminopiperidin-1-yl)sulfonylchromen-2-one
CID 43556312
6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
CID 35405989
6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperazin-1-yl]sulfonylchromen-2-one
CID 87839126
2-oxo-N-[2-[4-(2-oxochromen-6-yl)sulfonylpiperazin-1-yl]ethyl]chromene-6-sulfonamide
CID 172906846
6-[(3S)-3-aminopyrrolidin-1-yl]sulfonylchromen-2-one;hydrochloride
CID 119993407
6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one
CID 120714302
1-(1,3-benzodioxol-5-ylsulfonyl)-4-phenylpiperazine
CID 3153760
6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one
CID 62371698

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one?
The IUPAC name of 6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one (CID 1248585) is 6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one.
What is the SMILES notation for 6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one?
The canonical SMILES for 6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one is O=c1ccc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2o1.
What is the InChIKey of 6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one?
The InChIKey is RBPNWVRLAZXLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c22-19-9-6-15-14-17(7-8-18(15)25-19)26(23,24)21-12-10-20(11-13-21)16-4-2-1-3-5-16/h1-9,14H,10-13H2.
What are the key properties of 6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one?
6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one has a molecular weight of 370.43 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperazin-1-yl)sulfonylchromen-2-one is sourced from PubChem (CID 1248585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).