7-fluoro-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)cyclobutyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;phosphane

C24H21F5N3O5PS — CID 163946873

About 7-fluoro-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)cyclobutyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;phosphane

7-fluoro-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)cyclobutyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;phosphane (PubChem CID 163946873) has the molecular formula C24H21F5N3O5PS and a molecular weight of 589.48 g/mol. Its IUPAC name is 7-fluoro-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)cyclobutyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;phosphane.

Molecular Properties

• Compound Name: 7-fluoro-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)cyclobutyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;phosphane
• PubChem CID: 163946873
• Molecular Formula: C24H21F5N3O5PS
• Molecular Weight: 589.48 g/mol
• Exact Mass: 589.09
• IUPAC Name: 7-fluoro-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)cyclobutyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;phosphane
• SMILES: COc1cc(C2CC(C(F)(F)F)C2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)c(F)cc21.P
• InChI: InChI=1S/C24H18F5N3O5S.H3P/c1-36-20-9-15(13-6-14(7-13)24(27,28)29)16(25)10-19(20)32-18-11-17(26)21(8-12(18)2-3-23(32)33)38(34,35)31-22-4-5-37-30-22;/h2-5,8-11,13-14H,6-7H2,1H3,(H,30,31);1H3
• InChIKey: RVWFPRKCWLQMAP-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 103.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.48
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)cyclobutyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;phosphane?

The IUPAC name of 7-fluoro-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)cyclobutyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;phosphane (CID 163946873) is 7-fluoro-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)cyclobutyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;phosphane.

What is the SMILES notation for 7-fluoro-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)cyclobutyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;phosphane?

The canonical SMILES for 7-fluoro-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)cyclobutyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;phosphane is COc1cc(C2CC(C(F)(F)F)C2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)c(F)cc21.P.

What is the InChIKey of 7-fluoro-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)cyclobutyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;phosphane?

The InChIKey is RVWFPRKCWLQMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N3O5S.H3P/c1-36-20-9-15(13-6-14(7-13)24(27,28)29)16(25)10-19(20)32-18-11-17(26)21(8-12(18)2-3-23(32)33)38(34,35)31-22-4-5-37-30-22;/h2-5,8-11,13-14H,6-7H2,1H3,(H,30,31);1H3.

What are the key properties of 7-fluoro-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)cyclobutyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;phosphane?

7-fluoro-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)cyclobutyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;phosphane has a molecular weight of 589.48 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)cyclobutyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;phosphane is sourced from PubChem (CID 163946873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).