5-chloro-1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole

C18H17Cl2N3O2S — CID 10201610

IUPAC5-chloro-1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole
SMILESO=S(=O)(c1ccccc1Cl)n1ccc2c(N3CCNCC3)c(Cl)ccc21
InChIInChI=1S/C18H17Cl2N3O2S/c19-14-3-1-2-4-17(14)26(24,25)23-10-7-13-16(23)6-5-15(20)18(13)22-11-8-21-9-12-22/h1-7,10,21H,8-9,11-12H2
InChIKeyNPQVMTFUOLJIOP-UHFFFAOYSA-N
MW410.33 g/mol
LogP3.59
Rot. Bonds3

About 5-chloro-1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole

5-chloro-1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole (PubChem CID 10201610) has the molecular formula C18H17Cl2N3O2S and a molecular weight of 410.33 g/mol. Its IUPAC name is 5-chloro-1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole.

Molecular Properties

Compound Name5-chloro-1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole
PubChem CID10201610
Molecular FormulaC18H17Cl2N3O2S
Molecular Weight410.33 g/mol
Exact Mass409.04
IUPAC Name5-chloro-1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole
SMILESO=S(=O)(c1ccccc1Cl)n1ccc2c(N3CCNCC3)c(Cl)ccc21
InChIInChI=1S/C18H17Cl2N3O2S/c19-14-3-1-2-4-17(14)26(24,25)23-10-7-13-16(23)6-5-15(20)18(13)22-11-8-21-9-12-22/h1-7,10,21H,8-9,11-12H2
InChIKeyNPQVMTFUOLJIOP-UHFFFAOYSA-N
XLogP3.59
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole?
The IUPAC name of 5-chloro-1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole (CID 10201610) is 5-chloro-1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole.
What is the SMILES notation for 5-chloro-1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole?
The canonical SMILES for 5-chloro-1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole is O=S(=O)(c1ccccc1Cl)n1ccc2c(N3CCNCC3)c(Cl)ccc21.
What is the InChIKey of 5-chloro-1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole?
The InChIKey is NPQVMTFUOLJIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2S/c19-14-3-1-2-4-17(14)26(24,25)23-10-7-13-16(23)6-5-15(20)18(13)22-11-8-21-9-12-22/h1-7,10,21H,8-9,11-12H2.
What are the key properties of 5-chloro-1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole?
5-chloro-1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole has a molecular weight of 410.33 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-chlorophenyl)sulfonyl-4-piperazin-1-ylindole is sourced from PubChem (CID 10201610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).