2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride

C14H7Cl3N2O3S — CID 19324393

IUPAC2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(-c2nc(-c3ccccc3)no2)c(Cl)cc1Cl
InChIInChI=1S/C14H7Cl3N2O3S/c15-10-7-11(16)12(23(17,20)21)6-9(10)14-18-13(19-22-14)8-4-2-1-3-5-8/h1-7H
InChIKeyFLUOHBJNCKXIOK-UHFFFAOYSA-N
MW389.65 g/mol
LogP4.64
Rot. Bonds3

About 2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride

2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride (PubChem CID 19324393) has the molecular formula C14H7Cl3N2O3S and a molecular weight of 389.65 g/mol. Its IUPAC name is 2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride
PubChem CID19324393
Molecular FormulaC14H7Cl3N2O3S
Molecular Weight389.65 g/mol
Exact Mass387.92
IUPAC Name2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(-c2nc(-c3ccccc3)no2)c(Cl)cc1Cl
InChIInChI=1S/C14H7Cl3N2O3S/c15-10-7-11(16)12(23(17,20)21)6-9(10)14-18-13(19-22-14)8-4-2-1-3-5-8/h1-7H
InChIKeyFLUOHBJNCKXIOK-UHFFFAOYSA-N
XLogP4.64
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.65
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-5-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonyl chloride
CID 19330764
5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 6459796
3-phenyl-5-(2,3,4-trichlorophenyl)-1,2,4-oxadiazole
CID 90656750
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747216
potassium [2-benzylsulfanyl-4-chloro-5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-cyanoazanide
CID 71486149
6-chloro-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one
CID 20904161
5-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-3-phenyl-1,2,4-oxadiazole
CID 71425543
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 4898260
5-[3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 71740242
N-(3,4-difluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50842970
2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]isoindole-1,3-dione
CID 168516715

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride?
The IUPAC name of 2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride (CID 19324393) is 2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride.
What is the SMILES notation for 2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride?
The canonical SMILES for 2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(-c2nc(-c3ccccc3)no2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride?
The InChIKey is FLUOHBJNCKXIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N2O3S/c15-10-7-11(16)12(23(17,20)21)6-9(10)14-18-13(19-22-14)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride?
2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride has a molecular weight of 389.65 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride is sourced from PubChem (CID 19324393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).