N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide

C22H23ClN4O4S — CID 3240736

IUPACN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C22H23ClN4O4S/c1-2-16-7-5-6-14-27(16)32(29,30)17-12-10-15(11-13-17)20(28)24-22-26-25-21(31-22)18-8-3-4-9-19(18)23/h3-4,8-13,16H,2,5-7,14H2,1H3,(H,24,26,28)
InChIKeyKKAUQKHDQKZJBW-UHFFFAOYSA-N
MW474.97 g/mol
LogP4.60
Rot. Bonds6

About N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide

N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 3240736) has the molecular formula C22H23ClN4O4S and a molecular weight of 474.97 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
PubChem CID3240736
Molecular FormulaC22H23ClN4O4S
Molecular Weight474.97 g/mol
Exact Mass474.11
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C22H23ClN4O4S/c1-2-16-7-5-6-14-27(16)32(29,30)17-12-10-15(11-13-17)20(28)24-22-26-25-21(31-22)18-8-3-4-9-19(18)23/h3-4,8-13,16H,2,5-7,14H2,1H3,(H,24,26,28)
InChIKeyKKAUQKHDQKZJBW-UHFFFAOYSA-N
XLogP4.60
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide (CID 3240736) is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide is CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is KKAUQKHDQKZJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O4S/c1-2-16-7-5-6-14-27(16)32(29,30)17-12-10-15(11-13-17)20(28)24-22-26-25-21(31-22)18-8-3-4-9-19(18)23/h3-4,8-13,16H,2,5-7,14H2,1H3,(H,24,26,28).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 474.97 g/mol, XLogP of 4.60, 6 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]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 3240736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).