6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine

C43H40Cl3N5O6S3 — CID 160955659

IUPAC6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine
SMILESCS(=O)(=O)N1CCN(c2cc(Cl)cc3cccn23)CC1.CS(=O)(=O)c1ccc(-c2cc(Cl)cc3cccn23)cc1.CS(=O)(=O)c1ccc(-c2cc(Cl)cn3cccc23)cc1
InChIInChI=1S/2C15H12ClNO2S.C13H16ClN3O2S/c1-20(18,19)13-6-4-11(5-7-13)14-9-12(16)10-17-8-2-3-15(14)17;1-20(18,19)14-6-4-11(5-7-14)15-10-12(16)9-13-3-2-8-17(13)15;1-20(18,19)16-7-5-15(6-8-16)13-10-11(14)9-12-3-2-4-17(12)13/h2*2-10H,1H3;2-4,9-10H,5-8H2,1H3
InChIKeySWIRRNBMMNTOSK-UHFFFAOYSA-N
MW925.38 g/mol
LogP9.00
Rot. Bonds6

About 6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine

6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine (PubChem CID 160955659) has the molecular formula C43H40Cl3N5O6S3 and a molecular weight of 925.38 g/mol. Its IUPAC name is 6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine.

Molecular Properties

Compound Name6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine
PubChem CID160955659
Molecular FormulaC43H40Cl3N5O6S3
Molecular Weight925.38 g/mol
Exact Mass923.12
IUPAC Name6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine
SMILESCS(=O)(=O)N1CCN(c2cc(Cl)cc3cccn23)CC1.CS(=O)(=O)c1ccc(-c2cc(Cl)cc3cccn23)cc1.CS(=O)(=O)c1ccc(-c2cc(Cl)cn3cccc23)cc1
InChIInChI=1S/2C15H12ClNO2S.C13H16ClN3O2S/c1-20(18,19)13-6-4-11(5-7-13)14-9-12(16)10-17-8-2-3-15(14)17;1-20(18,19)14-6-4-11(5-7-14)15-10-12(16)9-13-3-2-8-17(13)15;1-20(18,19)16-7-5-15(6-8-16)13-10-11(14)9-12-3-2-4-17(12)13/h2*2-10H,1H3;2-4,9-10H,5-8H2,1H3
InChIKeySWIRRNBMMNTOSK-UHFFFAOYSA-N
XLogP9.00
TPSA122.13 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.38
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine with MolForge

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Related Compounds

5-Butyl-4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-methyl-10-(4-methylphenyl)sulfonyl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene
CID 123622726
6-Chloro-8-(4-methylsulfonylpiperazin-1-yl)indolizine;6-methyl-8-(4-methylsulfonylphenyl)indolizine;6-methyl-8-(1-methylsulfonylpiperidin-4-yl)indolizine
CID 160024661
1-(Benzenesulfonyl)-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline;1-(3-chlorophenyl)sulfonyl-4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]quinoline
CID 160131601
6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine;6-chloro-N-(1-methylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyridin-8-amine;6-methyl-N-(1-methylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyridin-8-amine
CID 160145442
4-Chloro-12-fluoro-13-iodo-8-(4-methylphenyl)sulfonyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;4-chloro-12-fluoro-8-(4-methylphenyl)sulfonyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 160532523
6-Chloro-8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)indolizine;8-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-methylindolizine;1-[4-(7-methylindolizin-5-yl)piperazin-1-yl]ethanone;7-methyl-5-(4-methylsulfonylphenyl)indolizine;7-methyl-5-(1-methylsulfonylpiperidin-4-yl)indolizine
CID 160901215

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine?
The IUPAC name of 6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine (CID 160955659) is 6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine.
What is the SMILES notation for 6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine?
The canonical SMILES for 6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine is CS(=O)(=O)N1CCN(c2cc(Cl)cc3cccn23)CC1.CS(=O)(=O)c1ccc(-c2cc(Cl)cc3cccn23)cc1.CS(=O)(=O)c1ccc(-c2cc(Cl)cn3cccc23)cc1.
What is the InChIKey of 6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine?
The InChIKey is SWIRRNBMMNTOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H12ClNO2S.C13H16ClN3O2S/c1-20(18,19)13-6-4-11(5-7-13)14-9-12(16)10-17-8-2-3-15(14)17;1-20(18,19)14-6-4-11(5-7-14)15-10-12(16)9-13-3-2-8-17(13)15;1-20(18,19)16-7-5-15(6-8-16)13-10-11(14)9-12-3-2-4-17(12)13/h2*2-10H,1H3;2-4,9-10H,5-8H2,1H3.
What are the key properties of 6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine?
6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine has a molecular weight of 925.38 g/mol, XLogP of 9.00, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylphenyl)indolizine;7-chloro-5-(4-methylsulfonylpiperazin-1-yl)indolizine is sourced from PubChem (CID 160955659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).