2-chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

C14H10ClN3O3S — CID 155551712

IUPAC2-chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)o2)ccc1Cl
InChIInChI=1S/C14H10ClN3O3S/c15-11-7-6-10(8-12(11)22(16,19)20)14-18-17-13(21-14)9-4-2-1-3-5-9/h1-8H,(H2,16,19,20)
InChIKeyVMNCFOZVDOYNGE-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.70
Rot. Bonds3

About 2-chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

2-chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 155551712) has the molecular formula C14H10ClN3O3S and a molecular weight of 335.77 g/mol. Its IUPAC name is 2-chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID155551712
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC Name2-chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)o2)ccc1Cl
InChIInChI=1S/C14H10ClN3O3S/c15-11-7-6-10(8-12(11)22(16,19)20)14-18-17-13(21-14)9-4-2-1-3-5-9/h1-8H,(H2,16,19,20)
InChIKeyVMNCFOZVDOYNGE-UHFFFAOYSA-N
XLogP2.70
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 155551712) is 2-chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is NS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)o2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is VMNCFOZVDOYNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c15-11-7-6-10(8-12(11)22(16,19)20)14-18-17-13(21-14)9-4-2-1-3-5-9/h1-8H,(H2,16,19,20).
What are the key properties of 2-chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
2-chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 335.77 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 155551712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).