2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone

C28H27Cl2N3O3S — CID 4852617

IUPAC2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone
SMILESCCn1c(-c2ccccc2)c(C(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c2ccccc21
InChIInChI=1S/C28H27Cl2N3O3S/c1-2-33-24-11-7-6-10-22(24)27(28(33)20-8-4-3-5-9-20)25(34)19-31-14-16-32(17-15-31)37(35,36)26-18-21(29)12-13-23(26)30/h3-13,18H,2,14-17,19H2,1H3
InChIKeyOHWSWQCRJYACRZ-UHFFFAOYSA-N
MW556.52 g/mol
LogP5.82
Rot. Bonds7

About 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone

2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone (PubChem CID 4852617) has the molecular formula C28H27Cl2N3O3S and a molecular weight of 556.52 g/mol. Its IUPAC name is 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone
PubChem CID4852617
Molecular FormulaC28H27Cl2N3O3S
Molecular Weight556.52 g/mol
Exact Mass555.12
IUPAC Name2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone
SMILESCCn1c(-c2ccccc2)c(C(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c2ccccc21
InChIInChI=1S/C28H27Cl2N3O3S/c1-2-33-24-11-7-6-10-22(24)27(28(33)20-8-4-3-5-9-20)25(34)19-31-14-16-32(17-15-31)37(35,36)26-18-21(29)12-13-23(26)30/h3-13,18H,2,14-17,19H2,1H3
InChIKeyOHWSWQCRJYACRZ-UHFFFAOYSA-N
XLogP5.82
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.52
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone with MolForge

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Related Compounds

1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 17441584
2-[1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 87017632
1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 2406607
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4194583
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone
CID 20970600
(2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone
CID 154139542
2-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3295430
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 27182964
N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2685785
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 46563110
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20970601
2-(2-acetylphenoxy)-1-(1-ethyl-2-phenylindol-3-yl)ethanone
CID 7539637

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
The IUPAC name of 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone (CID 4852617) is 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
The canonical SMILES for 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone is CCn1c(-c2ccccc2)c(C(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c2ccccc21.
What is the InChIKey of 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
The InChIKey is OHWSWQCRJYACRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2N3O3S/c1-2-33-24-11-7-6-10-22(24)27(28(33)20-8-4-3-5-9-20)25(34)19-31-14-16-32(17-15-31)37(35,36)26-18-21(29)12-13-23(26)30/h3-13,18H,2,14-17,19H2,1H3.
What are the key properties of 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone?
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone has a molecular weight of 556.52 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone is sourced from PubChem (CID 4852617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).