5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole

C15H17Cl2N3O3S — CID 121098877

IUPAC5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cc(S(=O)(=O)N2CC(c3nc(C(C)C)no3)C2)c(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3O3S/c1-8(2)14-18-15(23-19-14)10-6-20(7-10)24(21,22)13-4-9(3)11(16)5-12(13)17/h4-5,8,10H,6-7H2,1-3H3
InChIKeyPJZHKEOFKYLEMU-UHFFFAOYSA-N
MW390.29 g/mol
LogP3.60
Rot. Bonds4

About 5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 121098877) has the molecular formula C15H17Cl2N3O3S and a molecular weight of 390.29 g/mol. Its IUPAC name is 5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID121098877
Molecular FormulaC15H17Cl2N3O3S
Molecular Weight390.29 g/mol
Exact Mass389.04
IUPAC Name5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cc(S(=O)(=O)N2CC(c3nc(C(C)C)no3)C2)c(Cl)cc1Cl
InChIInChI=1S/C15H17Cl2N3O3S/c1-8(2)14-18-15(23-19-14)10-6-20(7-10)24(21,22)13-4-9(3)11(16)5-12(13)17/h4-5,8,10H,6-7H2,1-3H3
InChIKeyPJZHKEOFKYLEMU-UHFFFAOYSA-N
XLogP3.60
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 121098877) is 5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1cc(S(=O)(=O)N2CC(c3nc(C(C)C)no3)C2)c(Cl)cc1Cl.
What is the InChIKey of 5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is PJZHKEOFKYLEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O3S/c1-8(2)14-18-15(23-19-14)10-6-20(7-10)24(21,22)13-4-9(3)11(16)5-12(13)17/h4-5,8,10H,6-7H2,1-3H3.
What are the key properties of 5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 390.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 121098877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).