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

C18H17FN2O2S2 — CID 17496411

IUPAC2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole
SMILESO=S(=O)(c1cccc(F)c1)N1CCCC(c2nc3ccccc3s2)C1
InChIInChI=1S/C18H17FN2O2S2/c19-14-6-3-7-15(11-14)25(22,23)21-10-4-5-13(12-21)18-20-16-8-1-2-9-17(16)24-18/h1-3,6-9,11,13H,4-5,10,12H2
InChIKeyDGBNLFKXDJAHIP-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.00
Rot. Bonds3

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

2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole (PubChem CID 17496411) has the molecular formula C18H17FN2O2S2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole
PubChem CID17496411
Molecular FormulaC18H17FN2O2S2
Molecular Weight376.48 g/mol
Exact Mass376.07
IUPAC Name2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole
SMILESO=S(=O)(c1cccc(F)c1)N1CCCC(c2nc3ccccc3s2)C1
InChIInChI=1S/C18H17FN2O2S2/c19-14-6-3-7-15(11-14)25(22,23)21-10-4-5-13(12-21)18-20-16-8-1-2-9-17(16)24-18/h1-3,6-9,11,13H,4-5,10,12H2
InChIKeyDGBNLFKXDJAHIP-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

2-[1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 3223527
2-[1-(3-piperidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 1436870
2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 55456465
6-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 166195706
4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 46557640
ethyl 4-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonylbenzoate
CID 17498192
2-[1-(3-bromophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 26943990
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 1430712
2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-3-yl]-1,3-benzothiazole
CID 42939516
2-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole
CID 8800412
[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 40797596
2-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole
CID 3223487

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole (CID 17496411) is 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole is O=S(=O)(c1cccc(F)c1)N1CCCC(c2nc3ccccc3s2)C1.
What is the InChIKey of 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole?
The InChIKey is DGBNLFKXDJAHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S2/c19-14-6-3-7-15(11-14)25(22,23)21-10-4-5-13(12-21)18-20-16-8-1-2-9-17(16)24-18/h1-3,6-9,11,13H,4-5,10,12H2.
What are the key properties of 2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole?
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-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-(3-fluorophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole is sourced from PubChem (CID 17496411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).