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

C15H11ClN2O3S — CID 42632514

IUPAC2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O3S/c16-12-6-8-13(9-7-12)22(19,20)10-14-17-18-15(21-14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyKXNOYLUZHORISY-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.36
Rot. Bonds4

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

2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 42632514) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID42632514
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O3S/c16-12-6-8-13(9-7-12)22(19,20)10-14-17-18-15(21-14)11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyKXNOYLUZHORISY-UHFFFAOYSA-N
XLogP3.36
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 42632398
2-(4-tert-butylphenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 2743776
2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 42632515
4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24555835
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319836
1-(4-chlorophenyl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
CID 110320476
2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 78762124
2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole
CID 67612049
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 55321964
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 28887757
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
(1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 9334600

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole (CID 42632514) is 2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole is O=S(=O)(Cc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is KXNOYLUZHORISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c16-12-6-8-13(9-7-12)22(19,20)10-14-17-18-15(21-14)11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole?
2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 334.78 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 42632514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).