N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C19H16ClFN4O4S — CID 16923888

IUPACN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)o1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H16ClFN4O4S/c20-15-5-2-1-4-14(15)18-23-24-19(29-18)22-17(26)16-6-3-11-25(16)30(27,28)13-9-7-12(21)8-10-13/h1-2,4-5,7-10,16H,3,6,11H2,(H,22,24,26)
InChIKeyVMOIFOUEPXXHDT-UHFFFAOYSA-N
MW450.88 g/mol
LogP3.32
Rot. Bonds5

About N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 16923888) has the molecular formula C19H16ClFN4O4S and a molecular weight of 450.88 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID16923888
Molecular FormulaC19H16ClFN4O4S
Molecular Weight450.88 g/mol
Exact Mass450.06
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)o1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H16ClFN4O4S/c20-15-5-2-1-4-14(15)18-23-24-19(29-18)22-17(26)16-6-3-11-25(16)30(27,28)13-9-7-12(21)8-10-13/h1-2,4-5,7-10,16H,3,6,11H2,(H,22,24,26)
InChIKeyVMOIFOUEPXXHDT-UHFFFAOYSA-N
XLogP3.32
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827677
1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide
CID 16924114
1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 16854859
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16923933
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16923894
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43972253
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16862940
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 43975759
1-(4-chlorophenyl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 16924089
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16924085
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 43976299
(2R)-N-(3-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 51684558

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 16923888) is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is O=C(Nc1nnc(-c2ccccc2Cl)o1)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is VMOIFOUEPXXHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O4S/c20-15-5-2-1-4-14(15)18-23-24-19(29-18)22-17(26)16-6-3-11-25(16)30(27,28)13-9-7-12(21)8-10-13/h1-2,4-5,7-10,16H,3,6,11H2,(H,22,24,26).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 450.88 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 16923888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).