N,5-diphenyl-1,3,4-oxadiazole-2-sulfonamide

C14H11N3O3S — CID 10100918

IUPACN,5-diphenyl-1,3,4-oxadiazole-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C14H11N3O3S/c18-21(19,17-12-9-5-2-6-10-12)14-16-15-13(20-14)11-7-3-1-4-8-11/h1-10,17H
InChIKeyCMPXKCHOYMYINM-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.54
Rot. Bonds4

About N,5-diphenyl-1,3,4-oxadiazole-2-sulfonamide

N,5-diphenyl-1,3,4-oxadiazole-2-sulfonamide (PubChem CID 10100918) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is N,5-diphenyl-1,3,4-oxadiazole-2-sulfonamide.

Molecular Properties

Compound NameN,5-diphenyl-1,3,4-oxadiazole-2-sulfonamide
PubChem CID10100918
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC NameN,5-diphenyl-1,3,4-oxadiazole-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C14H11N3O3S/c18-21(19,17-12-9-5-2-6-10-12)14-16-15-13(20-14)11-7-3-1-4-8-11/h1-10,17H
InChIKeyCMPXKCHOYMYINM-UHFFFAOYSA-N
XLogP2.54
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-diphenyl-1,3,4-oxadiazole-2-sulfonamide?
The IUPAC name of N,5-diphenyl-1,3,4-oxadiazole-2-sulfonamide (CID 10100918) is N,5-diphenyl-1,3,4-oxadiazole-2-sulfonamide.
What is the SMILES notation for N,5-diphenyl-1,3,4-oxadiazole-2-sulfonamide?
The canonical SMILES for N,5-diphenyl-1,3,4-oxadiazole-2-sulfonamide is O=S(=O)(Nc1ccccc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of N,5-diphenyl-1,3,4-oxadiazole-2-sulfonamide?
The InChIKey is CMPXKCHOYMYINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-21(19,17-12-9-5-2-6-10-12)14-16-15-13(20-14)11-7-3-1-4-8-11/h1-10,17H.
What are the key properties of N,5-diphenyl-1,3,4-oxadiazole-2-sulfonamide?
N,5-diphenyl-1,3,4-oxadiazole-2-sulfonamide has a molecular weight of 301.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diphenyl-1,3,4-oxadiazole-2-sulfonamide is sourced from PubChem (CID 10100918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).