2-(3,4-dichlorophenyl)-5-methylsulfonyl-1,3,4-oxadiazole

C9H6Cl2N2O3S — CID 73212123

IUPAC2-(3,4-dichlorophenyl)-5-methylsulfonyl-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1nnc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C9H6Cl2N2O3S/c1-17(14,15)9-13-12-8(16-9)5-2-3-6(10)7(11)4-5/h2-4H,1H3
InChIKeyUKRLQLPNHSYKHX-UHFFFAOYSA-N
MW293.13 g/mol
LogP2.45
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-5-methylsulfonyl-1,3,4-oxadiazole

2-(3,4-dichlorophenyl)-5-methylsulfonyl-1,3,4-oxadiazole (PubChem CID 73212123) has the molecular formula C9H6Cl2N2O3S and a molecular weight of 293.13 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-methylsulfonyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-methylsulfonyl-1,3,4-oxadiazole
PubChem CID73212123
Molecular FormulaC9H6Cl2N2O3S
Molecular Weight293.13 g/mol
Exact Mass291.95
IUPAC Name2-(3,4-dichlorophenyl)-5-methylsulfonyl-1,3,4-oxadiazole
SMILESCS(=O)(=O)c1nnc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C9H6Cl2N2O3S/c1-17(14,15)9-13-12-8(16-9)5-2-3-6(10)7(11)4-5/h2-4H,1H3
InChIKeyUKRLQLPNHSYKHX-UHFFFAOYSA-N
XLogP2.45
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.13
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole
CID 4739110
[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]methanethiol
CID 170081196
4-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
CID 62933251
2-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole
CID 903866
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
2-(3,4-dimethoxyphenyl)-5-ethylsulfonyl-1,3,4-oxadiazole
CID 56957991
1,2-dichloro-4-(2-methylsulfonylphenyl)benzene
CID 57061474
2-(4-methylphenyl)-5-[[4-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]methylsulfanyl]-1,3,4-oxadiazole
CID 138670553
2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole
CID 107996197
2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole
CID 102039656
2-chloro-N,N-dimethyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 53098036
4-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 126755771

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-methylsulfonyl-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-methylsulfonyl-1,3,4-oxadiazole (CID 73212123) is 2-(3,4-dichlorophenyl)-5-methylsulfonyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-methylsulfonyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-methylsulfonyl-1,3,4-oxadiazole is CS(=O)(=O)c1nnc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-methylsulfonyl-1,3,4-oxadiazole?
The InChIKey is UKRLQLPNHSYKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O3S/c1-17(14,15)9-13-12-8(16-9)5-2-3-6(10)7(11)4-5/h2-4H,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-5-methylsulfonyl-1,3,4-oxadiazole?
2-(3,4-dichlorophenyl)-5-methylsulfonyl-1,3,4-oxadiazole has a molecular weight of 293.13 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-methylsulfonyl-1,3,4-oxadiazole is sourced from PubChem (CID 73212123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).