2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide

C8H7N3O4S — CID 117064042

IUPAC2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1n[nH]c(=O)o1
InChIInChI=1S/C8H7N3O4S/c9-16(13,14)6-4-2-1-3-5(6)7-10-11-8(12)15-7/h1-4H,(H,11,12)(H2,9,13,14)
InChIKeyUMJFLPODLDIYFA-UHFFFAOYSA-N
MW241.23 g/mol
LogP-0.32
Rot. Bonds2

About 2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide

2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 117064042) has the molecular formula C8H7N3O4S and a molecular weight of 241.23 g/mol. Its IUPAC name is 2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID117064042
Molecular FormulaC8H7N3O4S
Molecular Weight241.23 g/mol
Exact Mass241.02
IUPAC Name2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1n[nH]c(=O)o1
InChIInChI=1S/C8H7N3O4S/c9-16(13,14)6-4-2-1-3-5(6)7-10-11-8(12)15-7/h1-4H,(H,11,12)(H2,9,13,14)
InChIKeyUMJFLPODLDIYFA-UHFFFAOYSA-N
XLogP-0.32
TPSA119.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide (CID 117064042) is 2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1n[nH]c(=O)o1.
What is the InChIKey of 2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is UMJFLPODLDIYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4S/c9-16(13,14)6-4-2-1-3-5(6)7-10-11-8(12)15-7/h1-4H,(H,11,12)(H2,9,13,14).
What are the key properties of 2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide?
2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide has a molecular weight of 241.23 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 117064042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).