3-(4-fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-6-carboxamide

C22H23FN2O6S2 — CID 1075213

IUPAC3-(4-fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-6-carboxamide
SMILESCCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccc(C(N)=O)cn2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O6S2/c1-3-11-32(28,29)20-17-10-7-15(22(24)27)13-25(17)18(21(20)33(30,31)12-4-2)19(26)14-5-8-16(23)9-6-14/h5-10,13H,3-4,11-12H2,1-2H3,(H2,24,27)
InChIKeyRPUPONKYWKGYKA-UHFFFAOYSA-N
MW494.57 g/mol
LogP2.78
Rot. Bonds9

About 3-(4-fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-6-carboxamide

3-(4-fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-6-carboxamide (PubChem CID 1075213) has the molecular formula C22H23FN2O6S2 and a molecular weight of 494.57 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-6-carboxamide.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-6-carboxamide
PubChem CID1075213
Molecular FormulaC22H23FN2O6S2
Molecular Weight494.57 g/mol
Exact Mass494.10
IUPAC Name3-(4-fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-6-carboxamide
SMILESCCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccc(C(N)=O)cn2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H23FN2O6S2/c1-3-11-32(28,29)20-17-10-7-15(22(24)27)13-25(17)18(21(20)33(30,31)12-4-2)19(26)14-5-8-16(23)9-6-14/h5-10,13H,3-4,11-12H2,1-2H3,(H2,24,27)
InChIKeyRPUPONKYWKGYKA-UHFFFAOYSA-N
XLogP2.78
TPSA132.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(4-fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-6-carboxamide?
The IUPAC name of 3-(4-fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-6-carboxamide (CID 1075213) is 3-(4-fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-6-carboxamide.
What is the SMILES notation for 3-(4-fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-6-carboxamide?
The canonical SMILES for 3-(4-fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-6-carboxamide is CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccc(C(N)=O)cn2c1C(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-6-carboxamide?
The InChIKey is RPUPONKYWKGYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O6S2/c1-3-11-32(28,29)20-17-10-7-15(22(24)27)13-25(17)18(21(20)33(30,31)12-4-2)19(26)14-5-8-16(23)9-6-14/h5-10,13H,3-4,11-12H2,1-2H3,(H2,24,27).
What are the key properties of 3-(4-fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-6-carboxamide?
3-(4-fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-6-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-6-carboxamide is sourced from PubChem (CID 1075213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).