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

C15H10Cl2N2O3S — CID 42632515

IUPAC2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1nnc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O3S/c16-10-5-7-11(8-6-10)23(20,21)9-14-18-19-15(22-14)12-3-1-2-4-13(12)17/h1-8H,9H2
InChIKeySSNRBZSJPKUVBU-UHFFFAOYSA-N
MW369.23 g/mol
LogP4.02
Rot. Bonds4

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

2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole (PubChem CID 42632515) has the molecular formula C15H10Cl2N2O3S and a molecular weight of 369.23 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
PubChem CID42632515
Molecular FormulaC15H10Cl2N2O3S
Molecular Weight369.23 g/mol
Exact Mass367.98
IUPAC Name2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1nnc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O3S/c16-10-5-7-11(8-6-10)23(20,21)9-14-18-19-15(22-14)12-3-1-2-4-13(12)17/h1-8H,9H2
InChIKeySSNRBZSJPKUVBU-UHFFFAOYSA-N
XLogP4.02
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 42632514
2-(4-tert-butylphenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 2743776
2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 42632398
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82159367
2-(2-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-1,3-oxazole-4-carbonitrile
CID 155942976
2-(2-chlorophenyl)-5-(1,2,4-triazol-4-ylmethyl)-1,3,4-oxadiazole
CID 45029366
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfonyl]-N-[4-(4-chlorophenyl)-1,3-oxazol-2-yl]acetamide
CID 72723918
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321583
5-chloro-1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]indole-2,3-dione
CID 18870510
2-(2-chlorophenyl)-5-[(5-chloro-2-pyridinyl)sulfinylmethyl]-1,3,4-oxadiazole
CID 167887774
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylbenzamide
CID 4806431

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole (CID 42632515) is 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole is O=S(=O)(Cc1nnc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole?
The InChIKey is SSNRBZSJPKUVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3S/c16-10-5-7-11(8-6-10)23(20,21)9-14-18-19-15(22-14)12-3-1-2-4-13(12)17/h1-8H,9H2.
What are the key properties of 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole has a molecular weight of 369.23 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 42632515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).