6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one

C23H23F3N2O5S — CID 10368556

IUPAC6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(Cc3ccc(S(=O)(=O)N4CCN(CCO)CC4)cc3)ccc2o1
InChIInChI=1S/C23H23F3N2O5S/c24-23(25,26)20-15-22(30)33-21-6-3-17(14-19(20)21)13-16-1-4-18(5-2-16)34(31,32)28-9-7-27(8-10-28)11-12-29/h1-6,14-15,29H,7-13H2
InChIKeyRLOKJIXTFGFSPJ-UHFFFAOYSA-N
MW496.51 g/mol
LogP2.70
Rot. Bonds6

About 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one

6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one (PubChem CID 10368556) has the molecular formula C23H23F3N2O5S and a molecular weight of 496.51 g/mol. Its IUPAC name is 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one
PubChem CID10368556
Molecular FormulaC23H23F3N2O5S
Molecular Weight496.51 g/mol
Exact Mass496.13
IUPAC Name6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(C(F)(F)F)c2cc(Cc3ccc(S(=O)(=O)N4CCN(CCO)CC4)cc3)ccc2o1
InChIInChI=1S/C23H23F3N2O5S/c24-23(25,26)20-15-22(30)33-21-6-3-17(14-19(20)21)13-16-1-4-18(5-2-16)34(31,32)28-9-7-27(8-10-28)11-12-29/h1-6,14-15,29H,7-13H2
InChIKeyRLOKJIXTFGFSPJ-UHFFFAOYSA-N
XLogP2.70
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.51
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)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

6-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)-1H-quinolin-2-one
CID 10072453
N-(2-methoxyphenyl)-4-[[2-oxo-4-(trifluoromethyl)chromen-6-yl]methyl]benzenesulfonamide
CID 11213977
2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 84558276
2-[4-(4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 168512153
2-[4-(3-amino-4-fluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501311
4-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethylamino]chromen-2-one
CID 30342674
7-hydroxy-8-methyl-4-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]chromen-2-one
CID 32732088
2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol
CID 63288121
2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501281
4-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]benzamide
CID 34686570
2-[4-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanol
CID 63310097
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]ethanol
CID 43392116

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one?
The IUPAC name of 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one (CID 10368556) is 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one is O=c1cc(C(F)(F)F)c2cc(Cc3ccc(S(=O)(=O)N4CCN(CCO)CC4)cc3)ccc2o1.
What is the InChIKey of 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one?
The InChIKey is RLOKJIXTFGFSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O5S/c24-23(25,26)20-15-22(30)33-21-6-3-17(14-19(20)21)13-16-1-4-18(5-2-16)34(31,32)28-9-7-27(8-10-28)11-12-29/h1-6,14-15,29H,7-13H2.
What are the key properties of 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one?
6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one has a molecular weight of 496.51 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]methyl]-4-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 10368556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).