3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide

C25H21N3O6S — CID 171549332

About 3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide

3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide (PubChem CID 171549332) has the molecular formula C25H21N3O6S and a molecular weight of 491.53 g/mol. Its IUPAC name is 3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide
• PubChem CID: 171549332
• Molecular Formula: C25H21N3O6S
• Molecular Weight: 491.53 g/mol
• Exact Mass: 491.12
• IUPAC Name: 3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide
• SMILES: Cc1cc([C@@H](C)Oc2cccnc2S(N)(=O)=O)c2oc(-c3cnc4ccoc4c3)c(C)c(=O)c2c1
• InChI: InChI=1S/C25H21N3O6S/c1-13-9-17(15(3)33-20-5-4-7-27-25(20)35(26,30)31)24-18(10-13)22(29)14(2)23(34-24)16-11-21-19(28-12-16)6-8-32-21/h4-12,15H,1-3H3,(H2,26,30,31)/t15-/m1/s1
• InChIKey: FLPBPWRHQYONHP-OAHLLOKOSA-N
• XLogP: 4.40
• TPSA: 138.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.53
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide?

The IUPAC name of 3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide (CID 171549332) is 3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide.

What is the SMILES notation for 3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide?

The canonical SMILES for 3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide is Cc1cc([C@@H](C)Oc2cccnc2S(N)(=O)=O)c2oc(-c3cnc4ccoc4c3)c(C)c(=O)c2c1.

What is the InChIKey of 3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide?

The InChIKey is FLPBPWRHQYONHP-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H21N3O6S/c1-13-9-17(15(3)33-20-5-4-7-27-25(20)35(26,30)31)24-18(10-13)22(29)14(2)23(34-24)16-11-21-19(28-12-16)6-8-32-21/h4-12,15H,1-3H3,(H2,26,30,31)/t15-/m1/s1.

What are the key properties of 3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide?

3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide has a molecular weight of 491.53 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R)-1-(2-furo[3,2-b]pyridin-6-yl-3,6-dimethyl-4-oxochromen-8-yl)ethoxy]pyridine-2-sulfonamide is sourced from PubChem (CID 171549332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).