1-(2,4-difluorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole

C21H23F2N3O2S — CID 25024326

IUPAC1-(2,4-difluorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole
SMILESCCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(F)cc3F)c2)CC1
InChIInChI=1S/C21H23F2N3O2S/c1-2-24-9-11-25(12-10-24)15-16-3-5-20-17(13-16)7-8-26(20)29(27,28)21-6-4-18(22)14-19(21)23/h3-8,13-14H,2,9-12,15H2,1H3
InChIKeySRMRRNRNKROOOC-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.29
Rot. Bonds5

About 1-(2,4-difluorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole

1-(2,4-difluorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole (PubChem CID 25024326) has the molecular formula C21H23F2N3O2S and a molecular weight of 419.50 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole
PubChem CID25024326
Molecular FormulaC21H23F2N3O2S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole
SMILESCCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(F)cc3F)c2)CC1
InChIInChI=1S/C21H23F2N3O2S/c1-2-24-9-11-25(12-10-24)15-16-3-5-20-17(13-16)7-8-26(20)29(27,28)21-6-4-18(22)14-19(21)23/h3-8,13-14H,2,9-12,15H2,1H3
InChIKeySRMRRNRNKROOOC-UHFFFAOYSA-N
XLogP3.29
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-difluorophenyl)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-(2,4-difluorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole (CID 25024326) is 1-(2,4-difluorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole is CCN1CCN(Cc2ccc3c(ccn3S(=O)(=O)c3ccc(F)cc3F)c2)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole?
The InChIKey is SRMRRNRNKROOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2S/c1-2-24-9-11-25(12-10-24)15-16-3-5-20-17(13-16)7-8-26(20)29(27,28)21-6-4-18(22)14-19(21)23/h3-8,13-14H,2,9-12,15H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole?
1-(2,4-difluorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole has a molecular weight of 419.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-5-[(4-ethylpiperazin-1-yl)methyl]indole is sourced from PubChem (CID 25024326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).