2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide

C24H28ClF2N3O5S — CID 146496440

About 2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide

2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide (PubChem CID 146496440) has the molecular formula C24H28ClF2N3O5S and a molecular weight of 544.02 g/mol. Its IUPAC name is 2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide
• PubChem CID: 146496440
• Molecular Formula: C24H28ClF2N3O5S
• Molecular Weight: 544.02 g/mol
• Exact Mass: 543.14
• IUPAC Name: 2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide
• SMILES: O=C(Nc1ccc(F)c(F)c1)c1c(Cl)c(S(=O)(=O)NC2C3CCC2CC(O)(CO)C3)c2n1CCCC2
• InChI: InChI=1S/C24H28ClF2N3O5S/c25-19-21(23(32)28-15-6-7-16(26)17(27)9-15)30-8-2-1-3-18(30)22(19)36(34,35)29-20-13-4-5-14(20)11-24(33,10-13)12-31/h6-7,9,13-14,20,29,31,33H,1-5,8,10-12H2,(H,28,32)
• InChIKey: GLRSCAAJWJHGKV-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 120.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.02
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide?

The IUPAC name of 2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide (CID 146496440) is 2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide.

What is the SMILES notation for 2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide?

The canonical SMILES for 2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1c(Cl)c(S(=O)(=O)NC2C3CCC2CC(O)(CO)C3)c2n1CCCC2.

What is the InChIKey of 2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide?

The InChIKey is GLRSCAAJWJHGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClF2N3O5S/c25-19-21(23(32)28-15-6-7-16(26)17(27)9-15)30-8-2-1-3-18(30)22(19)36(34,35)29-20-13-4-5-14(20)11-24(33,10-13)12-31/h6-7,9,13-14,20,29,31,33H,1-5,8,10-12H2,(H,28,32).

What are the key properties of 2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide?

2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide has a molecular weight of 544.02 g/mol, XLogP of 3.20, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(3,4-difluorophenyl)-1-[[3-hydroxy-3-(hydroxymethyl)-8-bicyclo[3.2.1]octanyl]sulfamoyl]-5,6,7,8-tetrahydroindolizine-3-carboxamide is sourced from PubChem (CID 146496440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).