5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one

C23H24ClN3O3S — CID 50760015

IUPAC5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2C1=C1CCCC1
InChIInChI=1S/C23H24ClN3O3S/c24-17-6-3-7-18(14-17)26-10-12-27(13-11-26)31(29,30)19-8-9-21-20(15-19)22(23(28)25-21)16-4-1-2-5-16/h3,6-9,14-15H,1-2,4-5,10-13H2,(H,25,28)
InChIKeyIVVRHOYXLFUKGZ-UHFFFAOYSA-N
MW457.98 g/mol
LogP4.13
Rot. Bonds3

About 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one

5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one (PubChem CID 50760015) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one
PubChem CID50760015
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC Name5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2C1=C1CCCC1
InChIInChI=1S/C23H24ClN3O3S/c24-17-6-3-7-18(14-17)26-10-12-27(13-11-26)31(29,30)19-8-9-21-20(15-19)22(23(28)25-21)16-4-1-2-5-16/h3,6-9,14-15H,1-2,4-5,10-13H2,(H,25,28)
InChIKeyIVVRHOYXLFUKGZ-UHFFFAOYSA-N
XLogP4.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one
CID 50760016
3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one
CID 50760017
3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one
CID 50759969
1-(3-chlorophenyl)-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 35764669
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-(3-chlorophenyl)-4-(4-cyclohexylphenyl)sulfonylpiperazine
CID 1260990
1-(3-chlorophenyl)-4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2462968
6-chloro-3-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-ylidene]-1H-indol-2-one
CID 51134045
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
1-(3-chlorophenyl)-4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazine
CID 9282287
5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylisoindole-1,3-dione
CID 56561984

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one?
The IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one (CID 50760015) is 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one.
What is the SMILES notation for 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one?
The canonical SMILES for 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one is O=C1Nc2ccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2C1=C1CCCC1.
What is the InChIKey of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one?
The InChIKey is IVVRHOYXLFUKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c24-17-6-3-7-18(14-17)26-10-12-27(13-11-26)31(29,30)19-8-9-21-20(15-19)22(23(28)25-21)16-4-1-2-5-16/h3,6-9,14-15H,1-2,4-5,10-13H2,(H,25,28).
What are the key properties of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one?
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one has a molecular weight of 457.98 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one is sourced from PubChem (CID 50760015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).