1-[4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide

C25H17F2N3O5S — CID 86344511

IUPAC1-[4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
SMILESCOc1cc(-c2cc(F)cc(F)c2)ccc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21
InChIInChI=1S/C25H17F2N3O5S/c1-34-23-13-15(17-10-18(26)14-19(27)11-17)2-5-22(23)30-21-6-4-20(12-16(21)3-7-25(30)31)36(32,33)29-24-8-9-35-28-24/h2-14H,1H3,(H,28,29)
InChIKeyACQSFYKBTUBHFI-UHFFFAOYSA-N
MW509.49 g/mol
LogP4.73
Rot. Bonds6

About 1-[4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide

1-[4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide (PubChem CID 86344511) has the molecular formula C25H17F2N3O5S and a molecular weight of 509.49 g/mol. Its IUPAC name is 1-[4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide.

Molecular Properties

Compound Name1-[4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
PubChem CID86344511
Molecular FormulaC25H17F2N3O5S
Molecular Weight509.49 g/mol
Exact Mass509.09
IUPAC Name1-[4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
SMILESCOc1cc(-c2cc(F)cc(F)c2)ccc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21
InChIInChI=1S/C25H17F2N3O5S/c1-34-23-13-15(17-10-18(26)14-19(27)11-17)2-5-22(23)30-21-6-4-20(12-16(21)3-7-25(30)31)36(32,33)29-24-8-9-35-28-24/h2-14H,1H3,(H,28,29)
InChIKeyACQSFYKBTUBHFI-UHFFFAOYSA-N
XLogP4.73
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide with MolForge

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Related Compounds

1-[5-fluoro-2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
CID 86344877
1-[4-(3,4-difluorophenyl)-5-fluoro-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
CID 117736868
US9776995, Example 42
CID 117736992
1-[4-[3-(difluoromethoxy)phenyl]-5-fluoro-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
CID 117737118
(Rac)-AMG8379
CID 117737142
N-(isoxazol-3-yl)-2-oxo-1-(2,3',5'-trifluoro-5-methoxy-[1,1'-biphenyl]-4-yl)-1,2-dihydroquinoline-6-sulfonamide
CID 117737172
1-[4-(3-chlorophenyl)-5-fluoro-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
CID 117737215
racemic 1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)-N-(isoxazol-3-yl)-2-oxo-1,2-dihydroquinoline-6-sulfonamide
CID 117737262
1-[5-fluoro-4-(4-fluoro-3-methylphenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
CID 117739617
1-[5-chloro-4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
CID 117741583
1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
CID 117741590
1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
CID 117741592

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide?
The IUPAC name of 1-[4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide (CID 86344511) is 1-[4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide.
What is the SMILES notation for 1-[4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide?
The canonical SMILES for 1-[4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide is COc1cc(-c2cc(F)cc(F)c2)ccc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21.
What is the InChIKey of 1-[4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide?
The InChIKey is ACQSFYKBTUBHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2N3O5S/c1-34-23-13-15(17-10-18(26)14-19(27)11-17)2-5-22(23)30-21-6-4-20(12-16(21)3-7-25(30)31)36(32,33)29-24-8-9-35-28-24/h2-14H,1H3,(H,28,29).
What are the key properties of 1-[4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide?
1-[4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide has a molecular weight of 509.49 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-difluorophenyl)-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide is sourced from PubChem (CID 86344511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).