4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide

C14H10ClN3O3S — CID 155522741

IUPAC4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C14H10ClN3O3S/c15-11-5-1-9(2-6-11)13-17-18-14(21-13)10-3-7-12(8-4-10)22(16,19)20/h1-8H,(H2,16,19,20)
InChIKeyGSQUWLKYLZMYSC-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.70
Rot. Bonds3

About 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide

4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 155522741) has the molecular formula C14H10ClN3O3S and a molecular weight of 335.77 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
PubChem CID155522741
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC Name4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C14H10ClN3O3S/c15-11-5-1-9(2-6-11)13-17-18-14(21-13)10-3-7-12(8-4-10)22(16,19)20/h1-8H,(H2,16,19,20)
InChIKeyGSQUWLKYLZMYSC-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 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 155522741) is 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The InChIKey is GSQUWLKYLZMYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c15-11-5-1-9(2-6-11)13-17-18-14(21-13)10-3-7-12(8-4-10)22(16,19)20/h1-8H,(H2,16,19,20).
What are the key properties of 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
4-[5-(4-chlorophenyl)-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 4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 155522741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).