7-methyl-5-(4-methylsulfonylphenyl)indolizine

C16H15NO2S — CID 160901216

IUPAC7-methyl-5-(4-methylsulfonylphenyl)indolizine
SMILESCc1cc(-c2ccc(S(C)(=O)=O)cc2)n2cccc2c1
InChIInChI=1S/C16H15NO2S/c1-12-10-14-4-3-9-17(14)16(11-12)13-5-7-15(8-6-13)20(2,18)19/h3-11H,1-2H3
InChIKeyPZOFNWKLBPWWTI-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.32
Rot. Bonds2

About 7-methyl-5-(4-methylsulfonylphenyl)indolizine

7-methyl-5-(4-methylsulfonylphenyl)indolizine (PubChem CID 160901216) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 7-methyl-5-(4-methylsulfonylphenyl)indolizine.

Molecular Properties

Compound Name7-methyl-5-(4-methylsulfonylphenyl)indolizine
PubChem CID160901216
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name7-methyl-5-(4-methylsulfonylphenyl)indolizine
SMILESCc1cc(-c2ccc(S(C)(=O)=O)cc2)n2cccc2c1
InChIInChI=1S/C16H15NO2S/c1-12-10-14-4-3-9-17(14)16(11-12)13-5-7-15(8-6-13)20(2,18)19/h3-11H,1-2H3
InChIKeyPZOFNWKLBPWWTI-UHFFFAOYSA-N
XLogP3.32
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-1-(4-methylsulfonylphenyl)pyrrole
CID 54105275
2-methyl-1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrrole
CID 10663833
2-methyl-1-(4-methylsulfonylphenyl)-5-phenylpyrrole
CID 23635012
4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene
CID 126737250
4-methyl-3-[2-(4-methylsulfonylphenyl)pyrrol-1-yl]pyridine
CID 21221443
dichloromethane;1-methyl-4-methylsulfonylbenzene
CID 175095378
2-(4-methylsulfinylphenyl)-1-(4-methylsulfonylphenyl)pyrrole
CID 21221534
[4-[2-(4-methylsulfonylphenyl)pyrrol-1-yl]phenyl]methanol
CID 21221458
5-methyl-2-[2-methyl-5-(4-methylsulfonylphenyl)pyrrol-1-yl]pyridine
CID 21221476
ethane;5-methyl-1-methylsulfonylcyclodeca-1,3,5,7,9-pentaene
CID 143718879
1,3-bis[4-(4-methylsulfonylphenyl)cyclopenta-1,3-dien-1-yl]benzene
CID 158321253
3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine
CID 157020249

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(4-methylsulfonylphenyl)indolizine?
The IUPAC name of 7-methyl-5-(4-methylsulfonylphenyl)indolizine (CID 160901216) is 7-methyl-5-(4-methylsulfonylphenyl)indolizine.
What is the SMILES notation for 7-methyl-5-(4-methylsulfonylphenyl)indolizine?
The canonical SMILES for 7-methyl-5-(4-methylsulfonylphenyl)indolizine is Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n2cccc2c1.
What is the InChIKey of 7-methyl-5-(4-methylsulfonylphenyl)indolizine?
The InChIKey is PZOFNWKLBPWWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-12-10-14-4-3-9-17(14)16(11-12)13-5-7-15(8-6-13)20(2,18)19/h3-11H,1-2H3.
What are the key properties of 7-methyl-5-(4-methylsulfonylphenyl)indolizine?
7-methyl-5-(4-methylsulfonylphenyl)indolizine has a molecular weight of 285.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(4-methylsulfonylphenyl)indolizine is sourced from PubChem (CID 160901216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).