3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one

C22H25FN2O5S2 — CID 55686800

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H25FN2O5S2/c23-19-5-2-6-21(16-19)32(29,30)25-12-10-24(11-13-25)22(26)9-14-31(27,28)20-8-7-17-3-1-4-18(17)15-20/h2,5-8,15-16H,1,3-4,9-14H2
InChIKeyJXKNFSROLIJESI-UHFFFAOYSA-N
MW480.58 g/mol
LogP2.01
Rot. Bonds6

About 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 55686800) has the molecular formula C22H25FN2O5S2 and a molecular weight of 480.58 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID55686800
Molecular FormulaC22H25FN2O5S2
Molecular Weight480.58 g/mol
Exact Mass480.12
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H25FN2O5S2/c23-19-5-2-6-21(16-19)32(29,30)25-12-10-24(11-13-25)22(26)9-14-31(27,28)20-8-7-17-3-1-4-18(17)15-20/h2,5-8,15-16H,1,3-4,9-14H2
InChIKeyJXKNFSROLIJESI-UHFFFAOYSA-N
XLogP2.01
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-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

3-amino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119270347
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]pentane-1,4-dione
CID 8641292
3-fluoro-N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]benzamide
CID 24543792
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 78781800
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propan-1-one
CID 112836004
1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 8622747
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 4820420
2-(azocan-1-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8679846
3-(4-ethylphenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9429037
2-cyclopentyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9369541
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[(4R)-4-methylazepan-1-yl]propan-1-one
CID 95248236
2-anilino-1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]ethanone
CID 119687790

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 55686800) is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one is O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is JXKNFSROLIJESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O5S2/c23-19-5-2-6-21(16-19)32(29,30)25-12-10-24(11-13-25)22(26)9-14-31(27,28)20-8-7-17-3-1-4-18(17)15-20/h2,5-8,15-16H,1,3-4,9-14H2.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one?
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 480.58 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 55686800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).