7-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one

C21H18F2N2O6S — CID 55389703

IUPAC7-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one
SMILESO=C(COc1ccc2ccc(=O)oc2c1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C21H18F2N2O6S/c22-15-3-5-17(23)19(11-15)32(28,29)25-9-7-24(8-10-25)20(26)13-30-16-4-1-14-2-6-21(27)31-18(14)12-16/h1-6,11-12H,7-10,13H2
InChIKeyXQZDLRVDEJFRSU-UHFFFAOYSA-N
MW464.45 g/mol
LogP1.98
Rot. Bonds5

About 7-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one

7-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one (PubChem CID 55389703) has the molecular formula C21H18F2N2O6S and a molecular weight of 464.45 g/mol. Its IUPAC name is 7-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one
PubChem CID55389703
Molecular FormulaC21H18F2N2O6S
Molecular Weight464.45 g/mol
Exact Mass464.09
IUPAC Name7-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one
SMILESO=C(COc1ccc2ccc(=O)oc2c1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C21H18F2N2O6S/c22-15-3-5-17(23)19(11-15)32(28,29)25-9-7-24(8-10-25)20(26)13-30-16-4-1-14-2-6-21(27)31-18(14)12-16/h1-6,11-12H,7-10,13H2
InChIKeyXQZDLRVDEJFRSU-UHFFFAOYSA-N
XLogP1.98
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.45
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one
CID 16504594
7-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethoxy]chromen-2-one
CID 78769592
7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one
CID 134020445
methyl 2-[4-[2-(2-oxochromen-7-yl)oxyacetyl]piperazin-1-yl]acetate
CID 171911145
2-(3-chlorophenoxy)-1-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 7601296
7-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethoxy]chromen-2-one
CID 27840479
7-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethoxy]chromen-2-one
CID 171387315
7-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethoxy]chromen-2-one;hydrochloride
CID 119412010
7-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]chromen-2-one
CID 8882275
7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one
CID 171907125
7-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethoxy]chromen-2-one
CID 55866745
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9371091

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one?
The IUPAC name of 7-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one (CID 55389703) is 7-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one?
The canonical SMILES for 7-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one is O=C(COc1ccc2ccc(=O)oc2c1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 7-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one?
The InChIKey is XQZDLRVDEJFRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O6S/c22-15-3-5-17(23)19(11-15)32(28,29)25-9-7-24(8-10-25)20(26)13-30-16-4-1-14-2-6-21(27)31-18(14)12-16/h1-6,11-12H,7-10,13H2.
What are the key properties of 7-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one?
7-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one has a molecular weight of 464.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]chromen-2-one is sourced from PubChem (CID 55389703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).