1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide

C19H17ClN4O4S — CID 16924114

IUPAC1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)o1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O4S/c20-14-8-10-15(11-9-14)29(26,27)24-12-4-7-16(24)17(25)21-19-23-22-18(28-19)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2,(H,21,23,25)
InChIKeyCPZYAGYJAGVILQ-UHFFFAOYSA-N
MW432.89 g/mol
LogP3.18
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 16924114) has the molecular formula C19H17ClN4O4S and a molecular weight of 432.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID16924114
Molecular FormulaC19H17ClN4O4S
Molecular Weight432.89 g/mol
Exact Mass432.07
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)o1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O4S/c20-14-8-10-15(11-9-14)29(26,27)24-12-4-7-16(24)17(25)21-19-23-22-18(28-19)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2,(H,21,23,25)
InChIKeyCPZYAGYJAGVILQ-UHFFFAOYSA-N
XLogP3.18
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-(4-chlorophenyl)sulfonyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 43975761
1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxamide
CID 16861746
1-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 16924047
1-(4-chlorophenyl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 16924089
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16923888
1-(4-fluorophenyl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 16854859
(2R)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40859282
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827677
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 16923933
(2S)-N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40858394

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide (CID 16924114) is 1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nnc(-c2ccccc2)o1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is CPZYAGYJAGVILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S/c20-14-8-10-15(11-9-14)29(26,27)24-12-4-7-16(24)17(25)21-19-23-22-18(28-19)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2,(H,21,23,25).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 432.89 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 16924114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).