N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C20H19ClN4O4S — CID 100682908

IUPACN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H19ClN4O4S/c21-17-6-2-1-5-16(17)19-23-18(29-24-19)13-22-20(26)14-7-9-15(10-8-14)30(27,28)25-11-3-4-12-25/h1-2,5-10H,3-4,11-13H2,(H,22,26)
InChIKeyITERCNWFHHRZOH-UHFFFAOYSA-N
MW446.92 g/mol
LogP3.10
Rot. Bonds6

About N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 100682908) has the molecular formula C20H19ClN4O4S and a molecular weight of 446.92 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID100682908
Molecular FormulaC20H19ClN4O4S
Molecular Weight446.92 g/mol
Exact Mass446.08
IUPAC NameN-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H19ClN4O4S/c21-17-6-2-1-5-16(17)19-23-18(29-24-19)13-22-20(26)14-7-9-15(10-8-14)30(27,28)25-11-3-4-12-25/h1-2,5-10H,3-4,11-13H2,(H,22,26)
InChIKeyITERCNWFHHRZOH-UHFFFAOYSA-N
XLogP3.10
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.92
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100682921
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133187913
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100682965
N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2710119
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 28730312
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 47728452
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 122572561
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680327
N-[[3-(1-ethylpyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 91818191
N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 16867447
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 6492197
N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 94042960

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 100682908) is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ITERCNWFHHRZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4S/c21-17-6-2-1-5-16(17)19-23-18(29-24-19)13-22-20(26)14-7-9-15(10-8-14)30(27,28)25-11-3-4-12-25/h1-2,5-10H,3-4,11-13H2,(H,22,26).
What are the key properties of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 446.92 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 100682908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).