1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole

C20H22BrN3O2S — CID 24965679

IUPAC1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
SMILESCN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C20H22BrN3O2S/c1-22-11-13-23(14-12-22)15-16-5-4-7-19-17(16)9-10-24(19)27(25,26)20-8-3-2-6-18(20)21/h2-10H,11-15H2,1H3
InChIKeyAGKMPGSBLMAGAX-UHFFFAOYSA-N
MW448.39 g/mol
LogP3.39
Rot. Bonds4

About 1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole

1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole (PubChem CID 24965679) has the molecular formula C20H22BrN3O2S and a molecular weight of 448.39 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
PubChem CID24965679
Molecular FormulaC20H22BrN3O2S
Molecular Weight448.39 g/mol
Exact Mass447.06
IUPAC Name1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
SMILESCN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C20H22BrN3O2S/c1-22-11-13-23(14-12-22)15-16-5-4-7-19-17(16)9-10-24(19)27(25,26)20-8-3-2-6-18(20)21/h2-10H,11-15H2,1H3
InChIKeyAGKMPGSBLMAGAX-UHFFFAOYSA-N
XLogP3.39
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-bromophenyl)sulfonyl-4-[(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

4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole
CID 24967099
1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole
CID 68544798
1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
CID 24965682
1-(2-bromophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]-5-nitroindole
CID 10480841
1-(2-bromo-4-methoxyphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole;hydrochloride
CID 66852737
1-(2-bromophenyl)sulfonyl-2-[(4-methylpiperazin-1-yl)methyl]indole
CID 11305426
4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole
CID 24774937
1-(benzenesulfonyl)-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10317027
4-bromo-1-(4-fluorophenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10004719
1-[(8-bromonaphthalen-1-yl)methyl]-4-methylpiperazine
CID 171934677
1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 2468104
1-[(3-bromo-2-nitrophenyl)methyl]-4-methylpiperazine
CID 155387476

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole (CID 24965679) is 1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole is CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2Br)CC1.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole?
The InChIKey is AGKMPGSBLMAGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2S/c1-22-11-13-23(14-12-22)15-16-5-4-7-19-17(16)9-10-24(19)27(25,26)20-8-3-2-6-18(20)21/h2-10H,11-15H2,1H3.
What are the key properties of 1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole?
1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole has a molecular weight of 448.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole is sourced from PubChem (CID 24965679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).