2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole

C18H17FN2O2S2 — CID 1430696

IUPAC2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
SMILESO=S(=O)(c1ccccc1F)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H17FN2O2S2/c19-14-5-1-4-8-17(14)25(22,23)21-11-9-13(10-12-21)18-20-15-6-2-3-7-16(15)24-18/h1-8,13H,9-12H2
InChIKeyLCOILQDLUHMYDE-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.00
Rot. Bonds3

About 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole

2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole (PubChem CID 1430696) has the molecular formula C18H17FN2O2S2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
PubChem CID1430696
Molecular FormulaC18H17FN2O2S2
Molecular Weight376.48 g/mol
Exact Mass376.07
IUPAC Name2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
SMILESO=S(=O)(c1ccccc1F)N1CCC(c2nc3ccccc3s2)CC1
InChIInChI=1S/C18H17FN2O2S2/c19-14-5-1-4-8-17(14)25(22,23)21-11-9-13(10-12-21)18-20-15-6-2-3-7-16(15)24-18/h1-8,13H,9-12H2
InChIKeyLCOILQDLUHMYDE-UHFFFAOYSA-N
XLogP4.00
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dicyclohexyl-2-benzothiazolesulfenamide
CID 21080
4-(1,3-Benzothiazol-2-Ylsulfanyl)-2,3,5,6-Tetrakis(Fluoranyl)benzenesulfonamide
CID 71584454
2-(Piperidin-4-yl)-1,3-benzothiazole
CID 1477439
4-(1,3-Benzothiazol-2-yl)thiophene-2-sulfonamide
CID 11687981
2-Methylsulfanyl-6-(piperidine-1-sulfonyl)-benzothiazole
CID 558856
1-[(2-fluorobenzene)sulfonyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25188227
4-(6-methyl-1,3-benzothiazol-2-yl)-N-{[1-(thiophene-2-sulfonyl)piperidin-4-yl]methyl}aniline
CID 25188504
2,6-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 8603518
N,4-Dimethyl-N-(2-methylbenzo[d]thiazol-5-yl)benzenesulfonamide
CID 768655
2-[2-(Toluene-4-sulfonyl)-ethyl]-benzothiazole
CID 773538
4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 1239093
2-(Benzenesulfonylmethyl)-1,3-benzothiazole
CID 2384408

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole (CID 1430696) is 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole is O=S(=O)(c1ccccc1F)N1CCC(c2nc3ccccc3s2)CC1.
What is the InChIKey of 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole?
The InChIKey is LCOILQDLUHMYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S2/c19-14-5-1-4-8-17(14)25(22,23)21-11-9-13(10-12-21)18-20-15-6-2-3-7-16(15)24-18/h1-8,13H,9-12H2.
What are the key properties of 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole?
2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole has a molecular weight of 376.48 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 1430696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).