1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole

C19H20FN3O2S — CID 23624297

IUPAC1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole
SMILESCN1CCN(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C19H20FN3O2S/c1-21-10-12-22(13-11-21)19-14-23(18-5-3-2-4-17(18)19)26(24,25)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3
InChIKeyAKLPJZCEMGVEQJ-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.77
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole

1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole (PubChem CID 23624297) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole
PubChem CID23624297
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole
SMILESCN1CCN(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C19H20FN3O2S/c1-21-10-12-22(13-11-21)19-14-23(18-5-3-2-4-17(18)19)26(24,25)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3
InChIKeyAKLPJZCEMGVEQJ-UHFFFAOYSA-N
XLogP2.77
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole with MolForge

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

Launch Full Analysis

Related Compounds

1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole
CID 10108884
3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole
CID 11372738
1-(benzenesulfonyl)-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10317027
1-(benzenesulfonyl)-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
CID 69184356
1-(4-methylphenyl)sulfonyl-3-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]indole
CID 66852552
1-(4-methylphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
CID 69186511
3-[1-(4-methylpiperazin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylindole
CID 69183118
4-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10004719
1-(4-methoxyphenyl)sulfonyl-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
CID 69185093
1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine
CID 141044251
[1-(4-fluorophenyl)sulfonyl-5-nitroindol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 10478726
(2R)-2-(4-methylpiperazin-1-yl)-2-[1-(4-propan-2-ylphenyl)sulfonylindol-3-yl]acetonitrile
CID 66852277

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole (CID 23624297) is 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole is CN1CCN(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole?
The InChIKey is AKLPJZCEMGVEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-21-10-12-22(13-11-21)19-14-23(18-5-3-2-4-17(18)19)26(24,25)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole?
1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole has a molecular weight of 373.45 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole is sourced from PubChem (CID 23624297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).