2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone

C21H22ClN3O3S — CID 46563110

IUPAC2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C21H22ClN3O3S/c1-15-21(16-6-2-4-8-18(16)23-15)19(26)14-24-10-12-25(13-11-24)29(27,28)20-9-5-3-7-17(20)22/h2-9,23H,10-14H2,1H3
InChIKeyYBZGMBQYNKPEKZ-UHFFFAOYSA-N
MW431.95 g/mol
LogP3.32
Rot. Bonds5

About 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone

2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 46563110) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID46563110
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC Name2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C21H22ClN3O3S/c1-15-21(16-6-2-4-8-18(16)23-15)19(26)14-24-10-12-25(13-11-24)29(27,28)20-9-5-3-7-17(20)22/h2-9,23H,10-14H2,1H3
InChIKeyYBZGMBQYNKPEKZ-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

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 947076
1-(2-methyl-1H-indol-3-yl)-2-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]ethanone
CID 3913869
1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235
1-(2-methyl-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
CID 659447
N-cyclohexyl-N-methyl-4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazine-1-sulfonamide
CID 55626329
2-methyl-1-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 18086237
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 38748405
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 8693841
5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione
CID 7880189
1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819513
1-(azocan-1-yl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8693911
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate
CID 3692012

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone (CID 46563110) is 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is YBZGMBQYNKPEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c1-15-21(16-6-2-4-8-18(16)23-15)19(26)14-24-10-12-25(13-11-24)29(27,28)20-9-5-3-7-17(20)22/h2-9,23H,10-14H2,1H3.
What are the key properties of 2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone?
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-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-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 46563110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).