1-(4-methoxyphenyl)sulfonyl-8-methyl-2-propan-2-ylindolizine

C19H21NO3S — CID 14751730

IUPAC1-(4-methoxyphenyl)sulfonyl-8-methyl-2-propan-2-ylindolizine
SMILESCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3cccc(C)c23)cc1
InChIInChI=1S/C19H21NO3S/c1-13(2)17-12-20-11-5-6-14(3)18(20)19(17)24(21,22)16-9-7-15(23-4)8-10-16/h5-13H,1-4H3
InChIKeyVUECCGPQARSUCB-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.21
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-8-methyl-2-propan-2-ylindolizine

1-(4-methoxyphenyl)sulfonyl-8-methyl-2-propan-2-ylindolizine (PubChem CID 14751730) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-8-methyl-2-propan-2-ylindolizine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-8-methyl-2-propan-2-ylindolizine
PubChem CID14751730
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name1-(4-methoxyphenyl)sulfonyl-8-methyl-2-propan-2-ylindolizine
SMILESCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3cccc(C)c23)cc1
InChIInChI=1S/C19H21NO3S/c1-13(2)17-12-20-11-5-6-14(3)18(20)19(17)24(21,22)16-9-7-15(23-4)8-10-16/h5-13H,1-4H3
InChIKeyVUECCGPQARSUCB-UHFFFAOYSA-N
XLogP4.21
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1,2,3-tris[(4-methoxyphenyl)sulfonyl]benzene
CID 91532312
3,4,5-trimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline
CID 24896271
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(7-methoxy-6,8-dimethyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]-N-methylpropan-1-amine
CID 24896403
[4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite
CID 118689702
1,5-bis[4-(4-methoxyphenyl)sulfonyl-3,5-dimethylphenyl]pentan-3-one
CID 174854090
N-[4-hydroxy-3-(4-methoxyphenyl)sulfonyl-5-methyl-2-propan-2-ylphenyl]benzenesulfonamide
CID 3950145
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 4552394
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
4-methoxybenzenesulfonyl iodide
CID 23080708
4-[(4-methoxyphenyl)sulfonylamino]-5-methyl-2-propan-2-ylphenolate
CID 3691156
4-(6-propan-2-ylpyrrolo[1,2-b]pyridazin-5-yl)sulfonylphenol
CID 19759122

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-8-methyl-2-propan-2-ylindolizine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-8-methyl-2-propan-2-ylindolizine (CID 14751730) is 1-(4-methoxyphenyl)sulfonyl-8-methyl-2-propan-2-ylindolizine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-8-methyl-2-propan-2-ylindolizine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-8-methyl-2-propan-2-ylindolizine is COc1ccc(S(=O)(=O)c2c(C(C)C)cn3cccc(C)c23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-8-methyl-2-propan-2-ylindolizine?
The InChIKey is VUECCGPQARSUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-13(2)17-12-20-11-5-6-14(3)18(20)19(17)24(21,22)16-9-7-15(23-4)8-10-16/h5-13H,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-8-methyl-2-propan-2-ylindolizine?
1-(4-methoxyphenyl)sulfonyl-8-methyl-2-propan-2-ylindolizine has a molecular weight of 343.45 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-8-methyl-2-propan-2-ylindolizine is sourced from PubChem (CID 14751730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).