6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole

C20H22BrN3O3S — CID 118181432

IUPAC6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccc(Br)cc32)cc1N1CCN(C)CC1
InChIInChI=1S/C20H22BrN3O3S/c1-22-9-11-23(12-10-22)19-14-17(5-6-20(19)27-2)28(25,26)24-8-7-15-3-4-16(21)13-18(15)24/h3-8,13-14H,9-12H2,1-2H3
InChIKeyIKCJCGLRLPDWNC-UHFFFAOYSA-N
MW464.39 g/mol
LogP3.40
Rot. Bonds4

About 6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole

6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole (PubChem CID 118181432) has the molecular formula C20H22BrN3O3S and a molecular weight of 464.39 g/mol. Its IUPAC name is 6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole.

Molecular Properties

Compound Name6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole
PubChem CID118181432
Molecular FormulaC20H22BrN3O3S
Molecular Weight464.39 g/mol
Exact Mass463.06
IUPAC Name6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccc(Br)cc32)cc1N1CCN(C)CC1
InChIInChI=1S/C20H22BrN3O3S/c1-22-9-11-23(12-10-22)19-14-17(5-6-20(19)27-2)28(25,26)24-8-7-15-3-4-16(21)13-18(15)24/h3-8,13-14H,9-12H2,1-2H3
InChIKeyIKCJCGLRLPDWNC-UHFFFAOYSA-N
XLogP3.40
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole-5-carbonitrile
CID 118181439
5-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520126
4-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 6918647
6-bromo-3-(difluoromethyl)-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520136
N-[2-(7-bromonaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 118465045
6-bromo-1-(4-methoxy-3-morpholin-4-ylphenyl)sulfonylindole-3-carbaldehyde
CID 118173777
3-(difluoromethyl)-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-6-methylindole
CID 122520138
7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520130
4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
CID 118181436
6-bromo-3-(difluoromethyl)-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindazole
CID 118181450
N-[5-(5-bromoindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine
CID 71455436
1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
CID 20811370

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole?
The IUPAC name of 6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole (CID 118181432) is 6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole.
What is the SMILES notation for 6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole?
The canonical SMILES for 6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole is COc1ccc(S(=O)(=O)n2ccc3ccc(Br)cc32)cc1N1CCN(C)CC1.
What is the InChIKey of 6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole?
The InChIKey is IKCJCGLRLPDWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O3S/c1-22-9-11-23(12-10-22)19-14-17(5-6-20(19)27-2)28(25,26)24-8-7-15-3-4-16(21)13-18(15)24/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole?
6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole has a molecular weight of 464.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonylindole is sourced from PubChem (CID 118181432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).