1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole

C38H38Br2N6O5S2 — CID 141089036

IUPAC1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole
SMILESO=S(=O)(c1cc(Br)ccc1COCc1ccc(Br)cc1S(=O)(=O)n1ccc2c(N3CCNCC3)cccc21)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C38H38Br2N6O5S2/c39-29-9-7-27(37(23-29)52(47,48)45-17-11-31-33(3-1-5-35(31)45)43-19-13-41-14-20-43)25-51-26-28-8-10-30(40)24-38(28)53(49,50)46-18-12-32-34(4-2-6-36(32)46)44-21-15-42-16-22-44/h1-12,17-18,23-24,41-42H,13-16,19-22,25-26H2
InChIKeyIOESLORKCDHZIJ-UHFFFAOYSA-N
MW882.70 g/mol
LogP6.13
Rot. Bonds10

About 1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole

1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole (PubChem CID 141089036) has the molecular formula C38H38Br2N6O5S2 and a molecular weight of 882.70 g/mol. Its IUPAC name is 1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole.

Molecular Properties

Compound Name1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole
PubChem CID141089036
Molecular FormulaC38H38Br2N6O5S2
Molecular Weight882.70 g/mol
Exact Mass880.07
IUPAC Name1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole
SMILESO=S(=O)(c1cc(Br)ccc1COCc1ccc(Br)cc1S(=O)(=O)n1ccc2c(N3CCNCC3)cccc21)n1ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C38H38Br2N6O5S2/c39-29-9-7-27(37(23-29)52(47,48)45-17-11-31-33(3-1-5-35(31)45)43-19-13-41-14-20-43)25-51-26-28-8-10-30(40)24-38(28)53(49,50)46-18-12-32-34(4-2-6-36(32)46)44-21-15-42-16-22-44/h1-12,17-18,23-24,41-42H,13-16,19-22,25-26H2
InChIKeyIOESLORKCDHZIJ-UHFFFAOYSA-N
XLogP6.13
TPSA117.91 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500882.70
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole with MolForge

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Related Compounds

1-naphthalen-1-ylsulfonyl-4-piperazin-1-ylindole
CID 10113365
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CID 10158464
1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperazin-1-ylindole
CID 10271920
1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride
CID 10183265
1-(4-butoxyphenyl)sulfonyl-4-piperazin-1-ylindole
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4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole
CID 22015332
1-(4-nitrophenyl)sulfonyl-4-piperazin-1-ylindole;hydrochloride
CID 10137084
1-(5-bromo-2-methoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole
CID 46202755
formic acid;1-[2-(3-methoxypyrrolidin-1-yl)phenyl]sulfonyl-4-piperazin-1-ylindole
CID 68740770
1-(2-bromophenyl)sulfonyl-4-(piperazin-1-ylmethyl)indole
CID 68544798
1-[3-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]sulfonyl-4-piperazin-1-ylindole
CID 25118559
formic acid;6-(4-piperazin-1-ylindol-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 157455881

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole?
The IUPAC name of 1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole (CID 141089036) is 1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole.
What is the SMILES notation for 1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole?
The canonical SMILES for 1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole is O=S(=O)(c1cc(Br)ccc1COCc1ccc(Br)cc1S(=O)(=O)n1ccc2c(N3CCNCC3)cccc21)n1ccc2c(N3CCNCC3)cccc21.
What is the InChIKey of 1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole?
The InChIKey is IOESLORKCDHZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38Br2N6O5S2/c39-29-9-7-27(37(23-29)52(47,48)45-17-11-31-33(3-1-5-35(31)45)43-19-13-41-14-20-43)25-51-26-28-8-10-30(40)24-38(28)53(49,50)46-18-12-32-34(4-2-6-36(32)46)44-21-15-42-16-22-44/h1-12,17-18,23-24,41-42H,13-16,19-22,25-26H2.
What are the key properties of 1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole?
1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole has a molecular weight of 882.70 g/mol, XLogP of 6.13, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[[4-bromo-2-(4-piperazin-1-ylindol-1-yl)sulfonylphenyl]methoxymethyl]phenyl]sulfonyl-4-piperazin-1-ylindole is sourced from PubChem (CID 141089036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).