6-fluoro-9,9-dimethyl-N-(oxan-4-yl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide

C23H28FNO5S2 — CID 24960418

IUPAC6-fluoro-9,9-dimethyl-N-(oxan-4-yl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide
SMILESCC(C)c1cc2c(cc1S(=O)(=O)NC1CCOCC1)S(=O)(=O)c1cc(F)ccc1C2(C)C
InChIInChI=1S/C23H28FNO5S2/c1-14(2)17-12-19-22(13-20(17)32(28,29)25-16-7-9-30-10-8-16)31(26,27)21-11-15(24)5-6-18(21)23(19,3)4/h5-6,11-14,16,25H,7-10H2,1-4H3
InChIKeyYCZPUOAYPNKLOA-UHFFFAOYSA-N
MW481.61 g/mol
LogP3.88
Rot. Bonds4

About 6-fluoro-9,9-dimethyl-N-(oxan-4-yl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide

6-fluoro-9,9-dimethyl-N-(oxan-4-yl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide (PubChem CID 24960418) has the molecular formula C23H28FNO5S2 and a molecular weight of 481.61 g/mol. Its IUPAC name is 6-fluoro-9,9-dimethyl-N-(oxan-4-yl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide.

Molecular Properties

Compound Name6-fluoro-9,9-dimethyl-N-(oxan-4-yl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide
PubChem CID24960418
Molecular FormulaC23H28FNO5S2
Molecular Weight481.61 g/mol
Exact Mass481.14
IUPAC Name6-fluoro-9,9-dimethyl-N-(oxan-4-yl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide
SMILESCC(C)c1cc2c(cc1S(=O)(=O)NC1CCOCC1)S(=O)(=O)c1cc(F)ccc1C2(C)C
InChIInChI=1S/C23H28FNO5S2/c1-14(2)17-12-19-22(13-20(17)32(28,29)25-16-7-9-30-10-8-16)31(26,27)21-11-15(24)5-6-18(21)23(19,3)4/h5-6,11-14,16,25H,7-10H2,1-4H3
InChIKeyYCZPUOAYPNKLOA-UHFFFAOYSA-N
XLogP3.88
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.61
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-9,9-dimethyl-N-(oxan-4-yl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9,9-dimethyl-N-(oxan-4-yl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide?
The IUPAC name of 6-fluoro-9,9-dimethyl-N-(oxan-4-yl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide (CID 24960418) is 6-fluoro-9,9-dimethyl-N-(oxan-4-yl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide.
What is the SMILES notation for 6-fluoro-9,9-dimethyl-N-(oxan-4-yl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide?
The canonical SMILES for 6-fluoro-9,9-dimethyl-N-(oxan-4-yl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide is CC(C)c1cc2c(cc1S(=O)(=O)NC1CCOCC1)S(=O)(=O)c1cc(F)ccc1C2(C)C.
What is the InChIKey of 6-fluoro-9,9-dimethyl-N-(oxan-4-yl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide?
The InChIKey is YCZPUOAYPNKLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO5S2/c1-14(2)17-12-19-22(13-20(17)32(28,29)25-16-7-9-30-10-8-16)31(26,27)21-11-15(24)5-6-18(21)23(19,3)4/h5-6,11-14,16,25H,7-10H2,1-4H3.
What are the key properties of 6-fluoro-9,9-dimethyl-N-(oxan-4-yl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide?
6-fluoro-9,9-dimethyl-N-(oxan-4-yl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide has a molecular weight of 481.61 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9,9-dimethyl-N-(oxan-4-yl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide is sourced from PubChem (CID 24960418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).