6-chloro-3-[(1R)-1-[2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide

C24H23ClN4O6S — CID 171549185

About 6-chloro-3-[(1R)-1-[2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide

6-chloro-3-[(1R)-1-[2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide (PubChem CID 171549185) has the molecular formula C24H23ClN4O6S and a molecular weight of 530.99 g/mol. Its IUPAC name is 6-chloro-3-[(1R)-1-[2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 6-chloro-3-[(1R)-1-[2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
• PubChem CID: 171549185
• Molecular Formula: C24H23ClN4O6S
• Molecular Weight: 530.99 g/mol
• Exact Mass: 530.10
• IUPAC Name: 6-chloro-3-[(1R)-1-[2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide
• SMILES: Cc1cc([C@@H](C)Oc2ccc(Cl)nc2S(N)(=O)=O)c2oc(-c3cn4c(n3)COCC4)c(C)c(=O)c2c1
• InChI: InChI=1S/C24H23ClN4O6S/c1-12-8-15(14(3)34-18-4-5-19(25)28-24(18)36(26,31)32)23-16(9-12)21(30)13(2)22(35-23)17-10-29-6-7-33-11-20(29)27-17/h4-5,8-10,14H,6-7,11H2,1-3H3,(H2,26,31,32)/t14-/m1/s1
• InChIKey: DABKJWNYASWMJQ-CQSZACIVSA-N
• XLogP: 3.64
• TPSA: 139.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.99
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(1R)-1-[2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide?

The IUPAC name of 6-chloro-3-[(1R)-1-[2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide (CID 171549185) is 6-chloro-3-[(1R)-1-[2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide.

What is the SMILES notation for 6-chloro-3-[(1R)-1-[2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide?

The canonical SMILES for 6-chloro-3-[(1R)-1-[2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide is Cc1cc([C@@H](C)Oc2ccc(Cl)nc2S(N)(=O)=O)c2oc(-c3cn4c(n3)COCC4)c(C)c(=O)c2c1.

What is the InChIKey of 6-chloro-3-[(1R)-1-[2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide?

The InChIKey is DABKJWNYASWMJQ-CQSZACIVSA-N. The full InChI is InChI=1S/C24H23ClN4O6S/c1-12-8-15(14(3)34-18-4-5-19(25)28-24(18)36(26,31)32)23-16(9-12)21(30)13(2)22(35-23)17-10-29-6-7-33-11-20(29)27-17/h4-5,8-10,14H,6-7,11H2,1-3H3,(H2,26,31,32)/t14-/m1/s1.

What are the key properties of 6-chloro-3-[(1R)-1-[2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide?

6-chloro-3-[(1R)-1-[2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide has a molecular weight of 530.99 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[(1R)-1-[2-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-3,6-dimethyl-4-oxochromen-8-yl]ethoxy]pyridine-2-sulfonamide is sourced from PubChem (CID 171549185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).