[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

C17H20FN3O3S2 — CID 71808797

IUPAC[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H20FN3O3S2/c1-2-3-15-16(25-20-19-15)17(22)21-10-8-14(9-11-21)26(23,24)13-6-4-12(18)5-7-13/h4-7,14H,2-3,8-11H2,1H3
InChIKeyIALQHVLBESATBI-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.71
Rot. Bonds5

About [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 71808797) has the molecular formula C17H20FN3O3S2 and a molecular weight of 397.50 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID71808797
Molecular FormulaC17H20FN3O3S2
Molecular Weight397.50 g/mol
Exact Mass397.09
IUPAC Name[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H20FN3O3S2/c1-2-3-15-16(25-20-19-15)17(22)21-10-8-14(9-11-21)26(23,24)13-6-4-12(18)5-7-13/h4-7,14H,2-3,8-11H2,1H3
InChIKeyIALQHVLBESATBI-UHFFFAOYSA-N
XLogP2.71
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 71805668
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 95550139
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one
CID 90589548
N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]-4-fluorobenzamide
CID 32512747
(3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207236
[7-(2,5-difluorophenyl)-1,4-thiazepan-4-yl]-(4-propylthiadiazol-5-yl)methanone
CID 90631760
1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one
CID 57396619
(2-ethyl-1,3-benzothiazol-6-yl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589684
N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059681
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone
CID 90591711

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 71808797) is [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is IALQHVLBESATBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S2/c1-2-3-15-16(25-20-19-15)17(22)21-10-8-14(9-11-21)26(23,24)13-6-4-12(18)5-7-13/h4-7,14H,2-3,8-11H2,1H3.
What are the key properties of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 397.50 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 71808797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).