6-chloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole

C19H20ClN3O3S — CID 118181460

IUPAC6-chloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccc(Cl)cc32)cc1N1CCNCC1
InChIInChI=1S/C19H20ClN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-6,9,12-13,21H,7-8,10-11H2,1H3
InChIKeyMVGXOKWCDIKZOF-UHFFFAOYSA-N
MW405.91 g/mol
LogP2.95
Rot. Bonds4

About 6-chloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole

6-chloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole (PubChem CID 118181460) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 6-chloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole.

Molecular Properties

Compound Name6-chloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
PubChem CID118181460
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name6-chloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccc(Cl)cc32)cc1N1CCNCC1
InChIInChI=1S/C19H20ClN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-6,9,12-13,21H,7-8,10-11H2,1H3
InChIKeyMVGXOKWCDIKZOF-UHFFFAOYSA-N
XLogP2.95
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole?
The IUPAC name of 6-chloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole (CID 118181460) is 6-chloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole.
What is the SMILES notation for 6-chloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole?
The canonical SMILES for 6-chloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole is COc1ccc(S(=O)(=O)n2ccc3ccc(Cl)cc32)cc1N1CCNCC1.
What is the InChIKey of 6-chloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole?
The InChIKey is MVGXOKWCDIKZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-6,9,12-13,21H,7-8,10-11H2,1H3.
What are the key properties of 6-chloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole?
6-chloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole has a molecular weight of 405.91 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole is sourced from PubChem (CID 118181460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).