2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole

C15H12N2O3S — CID 42632398

IUPAC2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C15H12N2O3S/c18-21(19,13-9-5-2-6-10-13)11-14-16-17-15(20-14)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyZXSYUDBVAOATNV-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.71
Rot. Bonds4

About 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole

2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 42632398) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID42632398
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole
SMILESO=S(=O)(Cc1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C15H12N2O3S/c18-21(19,13-9-5-2-6-10-13)11-14-16-17-15(20-14)12-7-3-1-4-8-12/h1-10H,11H2
InChIKeyZXSYUDBVAOATNV-UHFFFAOYSA-N
XLogP2.71
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.71
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-(benzenesulfonylmethyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110656615
N-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 71662151
2-(4-tert-butylphenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 2743776
2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 8743178
2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 42632515
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319836
(5-phenyl-1,3,4-oxadiazol-2-yl)methanesulfinic acid
CID 174726453
5-(benzenesulfonylmethyl)-N-benzyl-1,3,4-oxadiazole-2-carboxamide
CID 22431959

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole (CID 42632398) is 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole is O=S(=O)(Cc1nnc(-c2ccccc2)o1)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is ZXSYUDBVAOATNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-21(19,13-9-5-2-6-10-13)11-14-16-17-15(20-14)12-7-3-1-4-8-12/h1-10H,11H2.
What are the key properties of 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole?
2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 300.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 42632398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).