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

C14H10ClN3O3S — CID 155527441

IUPAC3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2nnc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C14H10ClN3O3S/c15-11-6-4-9(5-7-11)13-17-18-14(21-13)10-2-1-3-12(8-10)22(16,19)20/h1-8H,(H2,16,19,20)
InChIKeyWSFBXXSBCRXLBR-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.70
Rot. Bonds3

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

3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 155527441) has the molecular formula C14H10ClN3O3S and a molecular weight of 335.77 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
PubChem CID155527441
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC Name3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2nnc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C14H10ClN3O3S/c15-11-6-4-9(5-7-11)13-17-18-14(21-13)10-2-1-3-12(8-10)22(16,19)20/h1-8H,(H2,16,19,20)
InChIKeyWSFBXXSBCRXLBR-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 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 155527441) is 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2nnc(-c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The InChIKey is WSFBXXSBCRXLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c15-11-6-4-9(5-7-11)13-17-18-14(21-13)10-2-1-3-12(8-10)22(16,19)20/h1-8H,(H2,16,19,20).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
3-[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 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 155527441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).