1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole

C19H20BrN3O2S — CID 68544798

IUPAC1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole
SMILESO=S(=O)(c1ccccc1Br)n1ccc2c(CN3CCNCC3)cccc21
InChIInChI=1S/C19H20BrN3O2S/c20-17-5-1-2-7-19(17)26(24,25)23-11-8-16-15(4-3-6-18(16)23)14-22-12-9-21-10-13-22/h1-8,11,21H,9-10,12-14H2
InChIKeyKZPBHYJYXRXJHV-UHFFFAOYSA-N
MW434.36 g/mol
LogP3.05
Rot. Bonds4

About 1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole

1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole (PubChem CID 68544798) has the molecular formula C19H20BrN3O2S and a molecular weight of 434.36 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole
PubChem CID68544798
Molecular FormulaC19H20BrN3O2S
Molecular Weight434.36 g/mol
Exact Mass433.05
IUPAC Name1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole
SMILESO=S(=O)(c1ccccc1Br)n1ccc2c(CN3CCNCC3)cccc21
InChIInChI=1S/C19H20BrN3O2S/c20-17-5-1-2-7-19(17)26(24,25)23-11-8-16-15(4-3-6-18(16)23)14-22-12-9-21-10-13-22/h1-8,11,21H,9-10,12-14H2
InChIKeyKZPBHYJYXRXJHV-UHFFFAOYSA-N
XLogP3.05
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
CID 24965679
4-[(4-methylpiperazin-1-yl)methyl]-1-naphthalen-1-ylsulfonylindole
CID 24967099
[2-[1-[4-(piperazin-1-ylmethyl)indol-1-yl]sulfonylprop-2-enyl]phenyl]methanamine
CID 174587734
1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole
CID 10113365
[4-[1-[4-(piperazin-1-ylmethyl)indol-1-yl]sulfonylprop-2-enyl]phenyl]methanamine
CID 174587743
4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole
CID 24774937
1-[(3-bromo-2-fluorophenyl)methyl]piperazine
CID 83744163
1-(4-methylphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole;hydrochloride
CID 175183696
1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole
CID 141089036
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1-(2-chlorophenyl)sulfonyl-3-hydroxy-4-(piperazin-1-ylmethyl)pyridin-2-one
CID 67194314
1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
CID 24965682

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole (CID 68544798) is 1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole is O=S(=O)(c1ccccc1Br)n1ccc2c(CN3CCNCC3)cccc21.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole?
The InChIKey is KZPBHYJYXRXJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2S/c20-17-5-1-2-7-19(17)26(24,25)23-11-8-16-15(4-3-6-18(16)23)14-22-12-9-21-10-13-22/h1-8,11,21H,9-10,12-14H2.
What are the key properties of 1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole?
1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole has a molecular weight of 434.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole is sourced from PubChem (CID 68544798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).