3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide

C16H10N2O3S2 — CID 890649

IUPAC3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=C(Sc2nnc(-c3ccccc3)o2)c2ccccc21
InChIInChI=1S/C16H10N2O3S2/c19-23(20)10-13(12-8-4-5-9-14(12)23)22-16-18-17-15(21-16)11-6-2-1-3-7-11/h1-10H
InChIKeyRGXPNQXTNFLPRE-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.61
Rot. Bonds3

About 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide

3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide (PubChem CID 890649) has the molecular formula C16H10N2O3S2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide
PubChem CID890649
Molecular FormulaC16H10N2O3S2
Molecular Weight342.40 g/mol
Exact Mass342.01
IUPAC Name3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)C=C(Sc2nnc(-c3ccccc3)o2)c2ccccc21
InChIInChI=1S/C16H10N2O3S2/c19-23(20)10-13(12-8-4-5-9-14(12)23)22-16-18-17-15(21-16)11-6-2-1-3-7-11/h1-10H
InChIKeyRGXPNQXTNFLPRE-UHFFFAOYSA-N
XLogP3.61
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Phenyl-5-(phenylthio)-1,3,4-oxadiazole
CID 15323569
2-(Benzenesulfonylmethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 22432641
2-[(2-Fluorobenzyl)thio]-5-phenyl-1,3,4-oxadiazole
CID 783687
2-Benzylsulfanyl-5-m-tolyl-[1,3,4]oxadiazole
CID 856217
2-(Benzylthio)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 889945
Methyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl sulfide
CID 1484133
2-(4-Chlorophenyl)-5-[2-(methylsulfonyl)phenyl]-1,3,4-oxadiazole
CID 1484139
N-hydroxy-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzamide
CID 135357548
4-[5-(2-Phenylethyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 153526874
2-(Benzylthio)-5-(p-tolyl)-1,3,4-oxadiazole
CID 779998
2-(Benzylthio)-5-phenyl-1,3,4-oxadiazole
CID 2843335
2-(4-Methyl-benzylsulfanyl)-5-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazole
CID 648399

Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide?
The IUPAC name of 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide (CID 890649) is 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide is O=S1(=O)C=C(Sc2nnc(-c3ccccc3)o2)c2ccccc21.
What is the InChIKey of 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide?
The InChIKey is RGXPNQXTNFLPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3S2/c19-23(20)10-13(12-8-4-5-9-14(12)23)22-16-18-17-15(21-16)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide?
3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide has a molecular weight of 342.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 890649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).