6-fluoro-9,9-dimethyl-10,10-dioxo-N-piperidin-4-yl-2-(2,2,2-trifluoroethoxy)thioxanthene-3-sulfonamide

C22H24F4N2O5S2 — CID 69195193

IUPAC6-fluoro-9,9-dimethyl-10,10-dioxo-N-piperidin-4-yl-2-(2,2,2-trifluoroethoxy)thioxanthene-3-sulfonamide
SMILESCC1(C)c2ccc(F)cc2S(=O)(=O)c2cc(S(=O)(=O)NC3CCNCC3)c(OCC(F)(F)F)cc21
InChIInChI=1S/C22H24F4N2O5S2/c1-21(2)15-4-3-13(23)9-18(15)34(29,30)19-11-20(17(10-16(19)21)33-12-22(24,25)26)35(31,32)28-14-5-7-27-8-6-14/h3-4,9-11,14,27-28H,5-8,12H2,1-2H3
InChIKeyBVZOFQCKMCLPLE-UHFFFAOYSA-N
MW536.57 g/mol
LogP3.27
Rot. Bonds5

About 6-fluoro-9,9-dimethyl-10,10-dioxo-N-piperidin-4-yl-2-(2,2,2-trifluoroethoxy)thioxanthene-3-sulfonamide

6-fluoro-9,9-dimethyl-10,10-dioxo-N-piperidin-4-yl-2-(2,2,2-trifluoroethoxy)thioxanthene-3-sulfonamide (PubChem CID 69195193) has the molecular formula C22H24F4N2O5S2 and a molecular weight of 536.57 g/mol. Its IUPAC name is 6-fluoro-9,9-dimethyl-10,10-dioxo-N-piperidin-4-yl-2-(2,2,2-trifluoroethoxy)thioxanthene-3-sulfonamide.

Molecular Properties

Compound Name6-fluoro-9,9-dimethyl-10,10-dioxo-N-piperidin-4-yl-2-(2,2,2-trifluoroethoxy)thioxanthene-3-sulfonamide
PubChem CID69195193
Molecular FormulaC22H24F4N2O5S2
Molecular Weight536.57 g/mol
Exact Mass536.11
IUPAC Name6-fluoro-9,9-dimethyl-10,10-dioxo-N-piperidin-4-yl-2-(2,2,2-trifluoroethoxy)thioxanthene-3-sulfonamide
SMILESCC1(C)c2ccc(F)cc2S(=O)(=O)c2cc(S(=O)(=O)NC3CCNCC3)c(OCC(F)(F)F)cc21
InChIInChI=1S/C22H24F4N2O5S2/c1-21(2)15-4-3-13(23)9-18(15)34(29,30)19-11-20(17(10-16(19)21)33-12-22(24,25)26)35(31,32)28-14-5-7-27-8-6-14/h3-4,9-11,14,27-28H,5-8,12H2,1-2H3
InChIKeyBVZOFQCKMCLPLE-UHFFFAOYSA-N
XLogP3.27
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.57
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-9,9-dimethyl-10,10-dioxo-N-piperidin-4-yl-2-(2,2,2-trifluoroethoxy)thioxanthene-3-sulfonamide with MolForge

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Related Compounds

3-chloro-9-fluoro-11,11-dioxo-N-piperidin-4-yl-5,6-dihydrobenzo[b][1]benzothiepine-2-sulfonamide
CID 69164919
4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 28810997
6-fluoro-9,9-dimethyl-N-(oxan-4-ylmethyl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide
CID 24960778
2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 115752112
2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide
CID 54881709
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
2-methoxy-N-piperidin-4-ylbenzenesulfonamide
CID 43603348
4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148
6-fluoro-9,9-dimethyl-3-nitro-2-(trifluoromethyl)thioxanthene 10,10-dioxide
CID 69164826
methyl 3-methoxy-4-(piperidin-4-ylsulfamoyl)benzoate
CID 120706280
4-[(9-fluoro-6,11,11-trioxo-3-propan-2-yl-5H-benzo[b][1,4]benzothiazepin-2-yl)sulfonylamino]piperidine-1-carboxylic acid
CID 69166613
tert-butyl formate;3-[5-fluoro-2-(trifluoromethyl)phenyl]-N-piperidin-4-ylprop-2-ene-1-sulfonamide
CID 175258171

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9,9-dimethyl-10,10-dioxo-N-piperidin-4-yl-2-(2,2,2-trifluoroethoxy)thioxanthene-3-sulfonamide?
The IUPAC name of 6-fluoro-9,9-dimethyl-10,10-dioxo-N-piperidin-4-yl-2-(2,2,2-trifluoroethoxy)thioxanthene-3-sulfonamide (CID 69195193) is 6-fluoro-9,9-dimethyl-10,10-dioxo-N-piperidin-4-yl-2-(2,2,2-trifluoroethoxy)thioxanthene-3-sulfonamide.
What is the SMILES notation for 6-fluoro-9,9-dimethyl-10,10-dioxo-N-piperidin-4-yl-2-(2,2,2-trifluoroethoxy)thioxanthene-3-sulfonamide?
The canonical SMILES for 6-fluoro-9,9-dimethyl-10,10-dioxo-N-piperidin-4-yl-2-(2,2,2-trifluoroethoxy)thioxanthene-3-sulfonamide is CC1(C)c2ccc(F)cc2S(=O)(=O)c2cc(S(=O)(=O)NC3CCNCC3)c(OCC(F)(F)F)cc21.
What is the InChIKey of 6-fluoro-9,9-dimethyl-10,10-dioxo-N-piperidin-4-yl-2-(2,2,2-trifluoroethoxy)thioxanthene-3-sulfonamide?
The InChIKey is BVZOFQCKMCLPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N2O5S2/c1-21(2)15-4-3-13(23)9-18(15)34(29,30)19-11-20(17(10-16(19)21)33-12-22(24,25)26)35(31,32)28-14-5-7-27-8-6-14/h3-4,9-11,14,27-28H,5-8,12H2,1-2H3.
What are the key properties of 6-fluoro-9,9-dimethyl-10,10-dioxo-N-piperidin-4-yl-2-(2,2,2-trifluoroethoxy)thioxanthene-3-sulfonamide?
6-fluoro-9,9-dimethyl-10,10-dioxo-N-piperidin-4-yl-2-(2,2,2-trifluoroethoxy)thioxanthene-3-sulfonamide has a molecular weight of 536.57 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9,9-dimethyl-10,10-dioxo-N-piperidin-4-yl-2-(2,2,2-trifluoroethoxy)thioxanthene-3-sulfonamide is sourced from PubChem (CID 69195193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).