3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide

C27H28N2O5S — CID 2327212

IUPAC3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)c2c(-c3ccc(OC)cc3OC)cc3ccccn23)c1
InChIInChI=1S/C27H28N2O5S/c1-5-28(6-2)35(31,32)22-12-9-10-19(16-22)27(30)26-24(17-20-11-7-8-15-29(20)26)23-14-13-21(33-3)18-25(23)34-4/h7-18H,5-6H2,1-4H3
InChIKeyLGEFNLGGHDEHKV-UHFFFAOYSA-N
MW492.60 g/mol
LogP4.89
Rot. Bonds9

About 3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide

3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide (PubChem CID 2327212) has the molecular formula C27H28N2O5S and a molecular weight of 492.60 g/mol. Its IUPAC name is 3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide
PubChem CID2327212
Molecular FormulaC27H28N2O5S
Molecular Weight492.60 g/mol
Exact Mass492.17
IUPAC Name3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)c2c(-c3ccc(OC)cc3OC)cc3ccccn23)c1
InChIInChI=1S/C27H28N2O5S/c1-5-28(6-2)35(31,32)22-12-9-10-19(16-22)27(30)26-24(17-20-11-7-8-15-29(20)26)23-14-13-21(33-3)18-25(23)34-4/h7-18H,5-6H2,1-4H3
InChIKeyLGEFNLGGHDEHKV-UHFFFAOYSA-N
XLogP4.89
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone
CID 4067347
4-[2-(2,4-dimethoxyanilino)acetyl]-N,N-diethylbenzenesulfonamide
CID 110823983
[(2S)-1-(2,4-dimethoxyphenyl)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)benzoate
CID 2625925
(2-methoxyindolizin-3-yl)-phenylmethanone
CID 156847197
(3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate
CID 8753259
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-(2,4-dimethoxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2709362
2-[3-(diethylsulfamoyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 29327817
(4-methoxycarbonylphenyl) 3-(diethylsulfamoyl)benzoate
CID 2678014
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
N-(5-bromo-2-methoxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 52707757
3-acetyl-N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 90570747

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide (CID 2327212) is 3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)c2c(-c3ccc(OC)cc3OC)cc3ccccn23)c1.
What is the InChIKey of 3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide?
The InChIKey is LGEFNLGGHDEHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5S/c1-5-28(6-2)35(31,32)22-12-9-10-19(16-22)27(30)26-24(17-20-11-7-8-15-29(20)26)23-14-13-21(33-3)18-25(23)34-4/h7-18H,5-6H2,1-4H3.
What are the key properties of 3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide?
3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide has a molecular weight of 492.60 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dimethoxyphenyl)indolizine-3-carbonyl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 2327212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).