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

C14H9Cl2N3O3S — CID 90644499

IUPAC2,4-dichloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)o2)c(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N3O3S/c15-10-7-11(16)12(23(17,20)21)6-9(10)14-19-18-13(22-14)8-4-2-1-3-5-8/h1-7H,(H2,17,20,21)
InChIKeyIBQJNNPDEPQPIB-UHFFFAOYSA-N
MW370.22 g/mol
LogP3.36
Rot. Bonds3

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

2,4-dichloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 90644499) has the molecular formula C14H9Cl2N3O3S and a molecular weight of 370.22 g/mol. Its IUPAC name is 2,4-dichloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID90644499
Molecular FormulaC14H9Cl2N3O3S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC Name2,4-dichloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)o2)c(Cl)cc1Cl
InChIInChI=1S/C14H9Cl2N3O3S/c15-10-7-11(16)12(23(17,20)21)6-9(10)14-19-18-13(22-14)8-4-2-1-3-5-8/h1-7H,(H2,17,20,21)
InChIKeyIBQJNNPDEPQPIB-UHFFFAOYSA-N
XLogP3.36
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 90644499) is 2,4-dichloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is NS(=O)(=O)c1cc(-c2nnc(-c3ccccc3)o2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is IBQJNNPDEPQPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O3S/c15-10-7-11(16)12(23(17,20)21)6-9(10)14-19-18-13(22-14)8-4-2-1-3-5-8/h1-7H,(H2,17,20,21).
What are the key properties of 2,4-dichloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
2,4-dichloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 370.22 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 90644499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).