1-(4-chlorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole

C21H24ClN3O2S — CID 25024148

IUPAC1-(4-chlorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole
SMILESCCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C21H24ClN3O2S/c1-2-23-11-13-24(14-12-23)16-17-3-8-21-18(15-17)9-10-25(21)28(26,27)20-6-4-19(22)5-7-20/h3-10,15H,2,11-14,16H2,1H3
InChIKeyLLFWZIMOSVKVRW-UHFFFAOYSA-N
MW417.96 g/mol
LogP3.67
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole

1-(4-chlorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole (PubChem CID 25024148) has the molecular formula C21H24ClN3O2S and a molecular weight of 417.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole
PubChem CID25024148
Molecular FormulaC21H24ClN3O2S
Molecular Weight417.96 g/mol
Exact Mass417.13
IUPAC Name1-(4-chlorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole
SMILESCCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C21H24ClN3O2S/c1-2-23-11-13-24(14-12-23)16-17-3-8-21-18(15-17)9-10-25(21)28(26,27)20-6-4-19(22)5-7-20/h3-10,15H,2,11-14,16H2,1H3
InChIKeyLLFWZIMOSVKVRW-UHFFFAOYSA-N
XLogP3.67
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole 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-5-[(4-ethylpiperazin-1-yl)methyl]indole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole (CID 25024148) is 1-(4-chlorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole is CCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole?
The InChIKey is LLFWZIMOSVKVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2S/c1-2-23-11-13-24(14-12-23)16-17-3-8-21-18(15-17)9-10-25(21)28(26,27)20-6-4-19(22)5-7-20/h3-10,15H,2,11-14,16H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole?
1-(4-chlorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole has a molecular weight of 417.96 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole is sourced from PubChem (CID 25024148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).