2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone

C21H22ClN3O3S — CID 110659793

IUPAC2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)c3c[nH]c4ccccc34)CC2)cc1Cl
InChIInChI=1S/C21H22ClN3O3S/c1-15-6-7-16(12-19(15)22)29(27,28)25-10-8-24(9-11-25)14-21(26)18-13-23-20-5-3-2-4-17(18)20/h2-7,12-13,23H,8-11,14H2,1H3
InChIKeyLHFRWYUQAXBICQ-UHFFFAOYSA-N
MW431.95 g/mol
LogP3.32
Rot. Bonds5

About 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone

2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone (PubChem CID 110659793) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone
PubChem CID110659793
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC Name2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)c3c[nH]c4ccccc34)CC2)cc1Cl
InChIInChI=1S/C21H22ClN3O3S/c1-15-6-7-16(12-19(15)22)29(27,28)25-10-8-24(9-11-25)14-21(26)18-13-23-20-5-3-2-4-17(18)20/h2-7,12-13,23H,8-11,14H2,1H3
InChIKeyLHFRWYUQAXBICQ-UHFFFAOYSA-N
XLogP3.32
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone 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

2-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659782
1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31872453
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 110659703
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 43816576
1-(1H-indol-3-yl)-2-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]ethanone
CID 110659796
2-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659791
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110659156
1-(2,5-dimethylphenyl)-2-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 110366633
2-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659763
4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64695940
methyl 2-(2-chlorophenyl)-2-[4-[2-(1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 55829396

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone (CID 110659793) is 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone is Cc1ccc(S(=O)(=O)N2CCN(CC(=O)c3c[nH]c4ccccc34)CC2)cc1Cl.
What is the InChIKey of 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The InChIKey is LHFRWYUQAXBICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c1-15-6-7-16(12-19(15)22)29(27,28)25-10-8-24(9-11-25)14-21(26)18-13-23-20-5-3-2-4-17(18)20/h2-7,12-13,23H,8-11,14H2,1H3.
What are the key properties of 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone has a molecular weight of 431.95 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 110659793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).