1-(4-chlorophenyl)sulfonyl-4-piperazin-1-ylindole

C18H18ClN3O2S — CID 10273087

IUPAC1-(4-chlorophenyl)sulfonyl-4-piperazin-1-ylindole
SMILESO=S(=O)(c1ccc(Cl)cc1)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H18ClN3O2S/c19-14-4-6-15(7-5-14)25(23,24)22-11-8-16-17(2-1-3-18(16)22)21-12-9-20-10-13-21/h1-8,11,20H,9-10,12-13H2
InChIKeyMSRIYFDZDOEYAR-UHFFFAOYSA-N
MW375.88 g/mol
LogP2.94
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-4-piperazin-1-ylindole

1-(4-chlorophenyl)sulfonyl-4-piperazin-1-ylindole (PubChem CID 10273087) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-piperazin-1-ylindole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-piperazin-1-ylindole
PubChem CID10273087
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-piperazin-1-ylindole
SMILESO=S(=O)(c1ccc(Cl)cc1)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C18H18ClN3O2S/c19-14-4-6-15(7-5-14)25(23,24)22-11-8-16-17(2-1-3-18(16)22)21-12-9-20-10-13-21/h1-8,11,20H,9-10,12-13H2
InChIKeyMSRIYFDZDOEYAR-UHFFFAOYSA-N
XLogP2.94
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)sulfonyl-4-piperazin-1-ylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-piperazin-1-ylindole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-piperazin-1-ylindole (CID 10273087) is 1-(4-chlorophenyl)sulfonyl-4-piperazin-1-ylindole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-piperazin-1-ylindole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-piperazin-1-ylindole is O=S(=O)(c1ccc(Cl)cc1)n1ccc2c(N3CCNCC3)cccc21.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-piperazin-1-ylindole?
The InChIKey is MSRIYFDZDOEYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c19-14-4-6-15(7-5-14)25(23,24)22-11-8-16-17(2-1-3-18(16)22)21-12-9-20-10-13-21/h1-8,11,20H,9-10,12-13H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-piperazin-1-ylindole?
1-(4-chlorophenyl)sulfonyl-4-piperazin-1-ylindole has a molecular weight of 375.88 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-piperazin-1-ylindole is sourced from PubChem (CID 10273087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).