N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide

C11H12BrN3O3S — CID 71969752

IUPACN-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C11H12BrN3O3S/c1-7(15-19(2,16)17)11-13-10(14-18-11)8-3-5-9(12)6-4-8/h3-7,15H,1-2H3
InChIKeySFIJSZRWQJQNDY-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.11
Rot. Bonds4

About N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide

N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide (PubChem CID 71969752) has the molecular formula C11H12BrN3O3S and a molecular weight of 346.21 g/mol. Its IUPAC name is N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
PubChem CID71969752
Molecular FormulaC11H12BrN3O3S
Molecular Weight346.21 g/mol
Exact Mass344.98
IUPAC NameN-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1nc(-c2ccc(Br)cc2)no1
InChIInChI=1S/C11H12BrN3O3S/c1-7(15-19(2,16)17)11-13-10(14-18-11)8-3-5-9(12)6-4-8/h3-7,15H,1-2H3
InChIKeySFIJSZRWQJQNDY-UHFFFAOYSA-N
XLogP2.11
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide 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-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide (CID 71969752) is N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide is CC(NS(C)(=O)=O)c1nc(-c2ccc(Br)cc2)no1.
What is the InChIKey of N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide?
The InChIKey is SFIJSZRWQJQNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O3S/c1-7(15-19(2,16)17)11-13-10(14-18-11)8-3-5-9(12)6-4-8/h3-7,15H,1-2H3.
What are the key properties of N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide?
N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide has a molecular weight of 346.21 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 71969752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).