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

C21H21ClN4O4S — CID 3241516

IUPACN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C21H21ClN4O4S/c1-14-6-4-5-13-26(14)31(28,29)16-11-9-15(10-12-16)19(27)23-21-25-24-20(30-21)17-7-2-3-8-18(17)22/h2-3,7-12,14H,4-6,13H2,1H3,(H,23,25,27)
InChIKeyFKCWHMHZAOMMDK-UHFFFAOYSA-N
MW460.94 g/mol
LogP4.21
Rot. Bonds5

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

N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 3241516) has the molecular formula C21H21ClN4O4S and a molecular weight of 460.94 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID3241516
Molecular FormulaC21H21ClN4O4S
Molecular Weight460.94 g/mol
Exact Mass460.10
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C21H21ClN4O4S/c1-14-6-4-5-13-26(14)31(28,29)16-11-9-15(10-12-16)19(27)23-21-25-24-20(30-21)17-7-2-3-8-18(17)22/h2-3,7-12,14H,4-6,13H2,1H3,(H,23,25,27)
InChIKeyFKCWHMHZAOMMDK-UHFFFAOYSA-N
XLogP4.21
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 54.21
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-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 3241516) is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCCCN1S(=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-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is FKCWHMHZAOMMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4S/c1-14-6-4-5-13-26(14)31(28,29)16-11-9-15(10-12-16)19(27)23-21-25-24-20(30-21)17-7-2-3-8-18(17)22/h2-3,7-12,14H,4-6,13H2,1H3,(H,23,25,27).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 460.94 g/mol, XLogP of 4.21, 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]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 3241516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).