6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide

C22H26FNO3S2 — CID 91290116

IUPAC6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide
SMILESCC(C)c1cc2c(cc1S(=O)(=O)NCC1CCOCC1)Sc1cc(F)ccc1C2
InChIInChI=1S/C22H26FNO3S2/c1-14(2)19-10-17-9-16-3-4-18(23)11-20(16)28-21(17)12-22(19)29(25,26)24-13-15-5-7-27-8-6-15/h3-4,10-12,14-15,24H,5-9,13H2,1-2H3
InChIKeyCUSNNCWMLVMHAJ-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.71
Rot. Bonds5

About 6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide

6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide (PubChem CID 91290116) has the molecular formula C22H26FNO3S2 and a molecular weight of 435.59 g/mol. Its IUPAC name is 6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide.

Molecular Properties

Compound Name6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide
PubChem CID91290116
Molecular FormulaC22H26FNO3S2
Molecular Weight435.59 g/mol
Exact Mass435.13
IUPAC Name6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide
SMILESCC(C)c1cc2c(cc1S(=O)(=O)NCC1CCOCC1)Sc1cc(F)ccc1C2
InChIInChI=1S/C22H26FNO3S2/c1-14(2)19-10-17-9-16-3-4-18(23)11-20(16)28-21(17)12-22(19)29(25,26)24-13-15-5-7-27-8-6-15/h3-4,10-12,14-15,24H,5-9,13H2,1-2H3
InChIKeyCUSNNCWMLVMHAJ-UHFFFAOYSA-N
XLogP4.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide with MolForge

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Related Compounds

6-fluoro-9,9-dimethyl-N-(oxan-4-ylmethyl)-10,10-dioxo-2-propan-2-ylthioxanthene-3-sulfonamide
CID 24960778
2,4-difluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110875681
3-methyl-N-(oxan-4-ylmethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-sulfonamide
CID 91195002
9-fluoro-3-propan-2-yl-N-(2-pyridin-2-ylethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-sulfonamide
CID 91102106
2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062919
5-amino-2-fluoro-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 80645574
2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063015
4-amino-2-chloro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726955
2,5-dibromo-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 55210127
4-methoxy-2-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736436
8-fluoro-3-methyl-N-(oxan-4-yl)phenoxathiine-2-sulfonamide
CID 90961856
N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110736429

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide?
The IUPAC name of 6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide (CID 91290116) is 6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide.
What is the SMILES notation for 6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide?
The canonical SMILES for 6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide is CC(C)c1cc2c(cc1S(=O)(=O)NCC1CCOCC1)Sc1cc(F)ccc1C2.
What is the InChIKey of 6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide?
The InChIKey is CUSNNCWMLVMHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3S2/c1-14(2)19-10-17-9-16-3-4-18(23)11-20(16)28-21(17)12-22(19)29(25,26)24-13-15-5-7-27-8-6-15/h3-4,10-12,14-15,24H,5-9,13H2,1-2H3.
What are the key properties of 6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide?
6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide has a molecular weight of 435.59 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(oxan-4-ylmethyl)-2-propan-2-yl-9H-thioxanthene-3-sulfonamide is sourced from PubChem (CID 91290116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).