Skip to content

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

C18H13ClN4O4S — CID 166213096

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1cccc(-c2nc(Cc3ccno3)no2)c1
InChIInChI=1S/C18H13ClN4O4S/c19-13-4-2-5-14(10-13)23-28(24,25)16-6-1-3-12(9-16)18-21-17(22-27-18)11-15-7-8-20-26-15/h1-10,23H,11H2
InChIKeyWFPFWSCLAILCBM-UHFFFAOYSA-N
MW416.85 g/mol
LogP3.77
Rot. Bonds6

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

N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (PubChem CID 166213096) has the molecular formula C18H13ClN4O4S and a molecular weight of 416.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
PubChem CID166213096
Molecular FormulaC18H13ClN4O4S
Molecular Weight416.85 g/mol
Exact Mass416.03
IUPAC NameN-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1cccc(-c2nc(Cc3ccno3)no2)c1
InChIInChI=1S/C18H13ClN4O4S/c19-13-4-2-5-14(10-13)23-28(24,25)16-6-1-3-12(9-16)18-21-17(22-27-18)11-15-7-8-20-26-15/h1-10,23H,11H2
InChIKeyWFPFWSCLAILCBM-UHFFFAOYSA-N
XLogP3.77
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.85
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide (CID 166213096) is N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is O=S(=O)(Nc1cccc(Cl)c1)c1cccc(-c2nc(Cc3ccno3)no2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
The InChIKey is WFPFWSCLAILCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O4S/c19-13-4-2-5-14(10-13)23-28(24,25)16-6-1-3-12(9-16)18-21-17(22-27-18)11-15-7-8-20-26-15/h1-10,23H,11H2.
What are the key properties of N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide?
N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide has a molecular weight of 416.85 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[3-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 166213096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.