6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole

C22H26ClN3O2S — CID 23652922

IUPAC6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole
SMILESCC(C)c1ccc(S(=O)(=O)n2cc(N3CCN(C)CC3)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C22H26ClN3O2S/c1-16(2)17-4-7-19(8-5-17)29(27,28)26-15-22(25-12-10-24(3)11-13-25)20-9-6-18(23)14-21(20)26/h4-9,14-16H,10-13H2,1-3H3
InChIKeyAJQQBSCDJFVVMQ-UHFFFAOYSA-N
MW431.99 g/mol
LogP4.41
Rot. Bonds4

About 6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole

6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole (PubChem CID 23652922) has the molecular formula C22H26ClN3O2S and a molecular weight of 431.99 g/mol. Its IUPAC name is 6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole.

Molecular Properties

Compound Name6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole
PubChem CID23652922
Molecular FormulaC22H26ClN3O2S
Molecular Weight431.99 g/mol
Exact Mass431.14
IUPAC Name6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole
SMILESCC(C)c1ccc(S(=O)(=O)n2cc(N3CCN(C)CC3)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C22H26ClN3O2S/c1-16(2)17-4-7-19(8-5-17)29(27,28)26-15-22(25-12-10-24(3)11-13-25)20-9-6-18(23)14-21(20)26/h4-9,14-16H,10-13H2,1-3H3
InChIKeyAJQQBSCDJFVVMQ-UHFFFAOYSA-N
XLogP4.41
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole?
The IUPAC name of 6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole (CID 23652922) is 6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole.
What is the SMILES notation for 6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole?
The canonical SMILES for 6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole is CC(C)c1ccc(S(=O)(=O)n2cc(N3CCN(C)CC3)c3ccc(Cl)cc32)cc1.
What is the InChIKey of 6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole?
The InChIKey is AJQQBSCDJFVVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2S/c1-16(2)17-4-7-19(8-5-17)29(27,28)26-15-22(25-12-10-24(3)11-13-25)20-9-6-18(23)14-21(20)26/h4-9,14-16H,10-13H2,1-3H3.
What are the key properties of 6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole?
6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole has a molecular weight of 431.99 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonylindole is sourced from PubChem (CID 23652922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).