3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole

C17H15ClN2O3S — CID 30849069

IUPAC3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3Cl)no2)c(C)c1
InChIInChI=1S/C17H15ClN2O3S/c1-11-7-8-15(12(2)9-11)24(21,22)10-16-19-17(20-23-16)13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3
InChIKeyUOFUVCWIULAUEZ-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.98
Rot. Bonds4

About 3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole

3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole (PubChem CID 30849069) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
PubChem CID30849069
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3Cl)no2)c(C)c1
InChIInChI=1S/C17H15ClN2O3S/c1-11-7-8-15(12(2)9-11)24(21,22)10-16-19-17(20-23-16)13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3
InChIKeyUOFUVCWIULAUEZ-UHFFFAOYSA-N
XLogP3.98
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,4-dimethylphenyl)sulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 50819735
3-(2-bromophenyl)-5-[(2,4,5-trimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 30849077
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101564
3-(2-chlorophenyl)-5-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 9036764
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 66485528
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
CID 110323931
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101563
2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323716
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345476
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740466
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 50875111

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole (CID 30849069) is 3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole is Cc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3Cl)no2)c(C)c1.
What is the InChIKey of 3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The InChIKey is UOFUVCWIULAUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-11-7-8-15(12(2)9-11)24(21,22)10-16-19-17(20-23-16)13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole?
3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole has a molecular weight of 362.84 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 30849069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).