[4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone

C35H34N4O5S2Si — CID 22710954

IUPAC[4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)cc(S(=O)(=O)N1CCN(C(=O)c3ccc(-c4ccncc4)cc3)CC1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C35H34N4O5S2Si/c1-47(2,3)24-17-27-9-14-33-31(25-27)26-34(39(33)45(41,42)32-7-5-4-6-8-32)46(43,44)38-22-20-37(21-23-38)35(40)30-12-10-28(11-13-30)29-15-18-36-19-16-29/h4-16,18-19,25-26H,20-23H2,1-3H3
InChIKeyXPNUPNZFZNQDQA-UHFFFAOYSA-N
MW682.90 g/mol
LogP5.32
Rot. Bonds6

About [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone

[4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone (PubChem CID 22710954) has the molecular formula C35H34N4O5S2Si and a molecular weight of 682.90 g/mol. Its IUPAC name is [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone
PubChem CID22710954
Molecular FormulaC35H34N4O5S2Si
Molecular Weight682.90 g/mol
Exact Mass682.17
IUPAC Name[4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)cc(S(=O)(=O)N1CCN(C(=O)c3ccc(-c4ccncc4)cc3)CC1)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C35H34N4O5S2Si/c1-47(2,3)24-17-27-9-14-33-31(25-27)26-34(39(33)45(41,42)32-7-5-4-6-8-32)46(43,44)38-22-20-37(21-23-38)35(40)30-12-10-28(11-13-30)29-15-18-36-19-16-29/h4-16,18-19,25-26H,20-23H2,1-3H3
InChIKeyXPNUPNZFZNQDQA-UHFFFAOYSA-N
XLogP5.32
TPSA109.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.90
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone 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

[4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(6-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)methanone
CID 22710712
[4-(5-chloro-1-ethylindol-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone
CID 22710942
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
4-[4-(2-trimethylsilylethynyl)phenyl]sulfonylpiperazine-1-carboxylic acid
CID 67303285
[4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone
CID 22628068
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9495959
5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 119146278
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 26757131
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 70703458

Frequently Asked Questions

What is the IUPAC name of [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone?
The IUPAC name of [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone (CID 22710954) is [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone.
What is the SMILES notation for [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone?
The canonical SMILES for [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone is C[Si](C)(C)C#Cc1ccc2c(c1)cc(S(=O)(=O)N1CCN(C(=O)c3ccc(-c4ccncc4)cc3)CC1)n2S(=O)(=O)c1ccccc1.
What is the InChIKey of [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone?
The InChIKey is XPNUPNZFZNQDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N4O5S2Si/c1-47(2,3)24-17-27-9-14-33-31(25-27)26-34(39(33)45(41,42)32-7-5-4-6-8-32)46(43,44)38-22-20-37(21-23-38)35(40)30-12-10-28(11-13-30)29-15-18-36-19-16-29/h4-16,18-19,25-26H,20-23H2,1-3H3.
What are the key properties of [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone?
[4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone has a molecular weight of 682.90 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(benzenesulfonyl)-5-(2-trimethylsilylethynyl)indol-2-yl]sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone is sourced from PubChem (CID 22710954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).