N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide

C20H19FN4O4S — CID 2057741

IUPACN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H19FN4O4S/c21-16-8-4-15(5-9-16)19-23-24-20(29-19)22-18(26)14-6-10-17(11-7-14)30(27,28)25-12-2-1-3-13-25/h4-11H,1-3,12-13H2,(H,22,24,26)
InChIKeySZAZAJZZZUXHLA-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.30
Rot. Bonds5

About N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide

N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 2057741) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID2057741
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC NameN-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H19FN4O4S/c21-16-8-4-15(5-9-16)19-23-24-20(29-19)22-18(26)14-6-10-17(11-7-14)30(27,28)25-12-2-1-3-13-25/h4-11H,1-3,12-13H2,(H,22,24,26)
InChIKeySZAZAJZZZUXHLA-UHFFFAOYSA-N
XLogP3.30
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide (CID 2057741) is N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is SZAZAJZZZUXHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c21-16-8-4-15(5-9-16)19-23-24-20(29-19)22-18(26)14-6-10-17(11-7-14)30(27,28)25-12-2-1-3-13-25/h4-11H,1-3,12-13H2,(H,22,24,26).
What are the key properties of N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide?
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 430.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2057741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).