5-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole

C20H21BrFN3O2S — CID 10027518

IUPAC5-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
SMILESCN1CCN(Cc2cn(S(=O)(=O)c3ccc(F)cc3)c3ccc(Br)cc23)CC1
InChIInChI=1S/C20H21BrFN3O2S/c1-23-8-10-24(11-9-23)13-15-14-25(20-7-2-16(21)12-19(15)20)28(26,27)18-5-3-17(22)4-6-18/h2-7,12,14H,8-11,13H2,1H3
InChIKeySFBKTUOOHOUKIL-UHFFFAOYSA-N
MW466.38 g/mol
LogP3.53
Rot. Bonds4

About 5-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole

5-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole (PubChem CID 10027518) has the molecular formula C20H21BrFN3O2S and a molecular weight of 466.38 g/mol. Its IUPAC name is 5-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole.

Molecular Properties

Compound Name5-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
PubChem CID10027518
Molecular FormulaC20H21BrFN3O2S
Molecular Weight466.38 g/mol
Exact Mass465.05
IUPAC Name5-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
SMILESCN1CCN(Cc2cn(S(=O)(=O)c3ccc(F)cc3)c3ccc(Br)cc23)CC1
InChIInChI=1S/C20H21BrFN3O2S/c1-23-8-10-24(11-9-23)13-15-14-25(20-7-2-16(21)12-19(15)20)28(26,27)18-5-3-17(22)4-6-18/h2-7,12,14H,8-11,13H2,1H3
InChIKeySFBKTUOOHOUKIL-UHFFFAOYSA-N
XLogP3.53
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-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

Related Compounds

Pyrrolidinylindole, 6
CID 10136837
N-benzenesulfonylgramine antagonist, 8
CID 11723168
Substituted phenylsulfonyltryptamine, 11b
CID 23655287
1-(4-Fluoro-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 9924959
4-(4-Methyl-1-piperazinyl)-1-(phenylsulfonyl)-1H-indole
CID 10108884
1-(4-Bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)indole
CID 11190207
3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonylindole
CID 11372738
1-(4-Fluorobenzenesulfonyl)-3-(4-methylpiperazin-1-yl)-1h-indole
CID 23624297
1H-Indole, 1-[[4-(1-methylethyl)phenyl]sulfonyl]-3-(4-methyl-1-piperazinyl)-
CID 23653135
5HT6-ligand-1
CID 24965679
5-Bromo-1-(3-chlorobenzenesulfonyl)-3-(4-methylpiperazin-1-yl)-1h-indole
CID 53322548
1-(2-Bromophenyl)sulfonyl-3-(1-ethylpyrrolidin-3-yl)indole
CID 56666594

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole?
The IUPAC name of 5-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole (CID 10027518) is 5-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole.
What is the SMILES notation for 5-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole?
The canonical SMILES for 5-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole is CN1CCN(Cc2cn(S(=O)(=O)c3ccc(F)cc3)c3ccc(Br)cc23)CC1.
What is the InChIKey of 5-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole?
The InChIKey is SFBKTUOOHOUKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrFN3O2S/c1-23-8-10-24(11-9-23)13-15-14-25(20-7-2-16(21)12-19(15)20)28(26,27)18-5-3-17(22)4-6-18/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 5-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole?
5-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole has a molecular weight of 466.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole is sourced from PubChem (CID 10027518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).