6-chloro-3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)sulfonylindole

C21H24ClN3O3S — CID 23652863

IUPAC6-chloro-3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)sulfonylindole
SMILESCCN1CCN(c2cn(S(=O)(=O)c3ccc(OC)cc3)c3cc(Cl)ccc23)CC1
InChIInChI=1S/C21H24ClN3O3S/c1-3-23-10-12-24(13-11-23)21-15-25(20-14-16(22)4-9-19(20)21)29(26,27)18-7-5-17(28-2)6-8-18/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyYBPWCFLZJNGMQN-UHFFFAOYSA-N
MW433.96 g/mol
LogP3.68
Rot. Bonds5

About 6-chloro-3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)sulfonylindole

6-chloro-3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)sulfonylindole (PubChem CID 23652863) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is 6-chloro-3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)sulfonylindole.

Molecular Properties

Compound Name6-chloro-3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)sulfonylindole
PubChem CID23652863
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC Name6-chloro-3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)sulfonylindole
SMILESCCN1CCN(c2cn(S(=O)(=O)c3ccc(OC)cc3)c3cc(Cl)ccc23)CC1
InChIInChI=1S/C21H24ClN3O3S/c1-3-23-10-12-24(13-11-23)21-15-25(20-14-16(22)4-9-19(20)21)29(26,27)18-7-5-17(28-2)6-8-18/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyYBPWCFLZJNGMQN-UHFFFAOYSA-N
XLogP3.68
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)sulfonylindole?
The IUPAC name of 6-chloro-3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)sulfonylindole (CID 23652863) is 6-chloro-3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)sulfonylindole.
What is the SMILES notation for 6-chloro-3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)sulfonylindole?
The canonical SMILES for 6-chloro-3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)sulfonylindole is CCN1CCN(c2cn(S(=O)(=O)c3ccc(OC)cc3)c3cc(Cl)ccc23)CC1.
What is the InChIKey of 6-chloro-3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)sulfonylindole?
The InChIKey is YBPWCFLZJNGMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c1-3-23-10-12-24(13-11-23)21-15-25(20-14-16(22)4-9-19(20)21)29(26,27)18-7-5-17(28-2)6-8-18/h4-9,14-15H,3,10-13H2,1-2H3.
What are the key properties of 6-chloro-3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)sulfonylindole?
6-chloro-3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)sulfonylindole has a molecular weight of 433.96 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-ethylpiperazin-1-yl)-1-(4-methoxyphenyl)sulfonylindole is sourced from PubChem (CID 23652863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).