3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide

C11H12Cl2N4O3S — CID 106411354

IUPAC3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESNCc1cc(Cl)cc(S(=O)(=O)NCCc2ncon2)c1Cl
InChIInChI=1S/C11H12Cl2N4O3S/c12-8-3-7(5-14)11(13)9(4-8)21(18,19)16-2-1-10-15-6-20-17-10/h3-4,6,16H,1-2,5,14H2
InChIKeyIXUHUFTUUUBPMU-UHFFFAOYSA-N
MW351.22 g/mol
LogP1.36
Rot. Bonds6

About 3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide

3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 106411354) has the molecular formula C11H12Cl2N4O3S and a molecular weight of 351.22 g/mol. Its IUPAC name is 3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
PubChem CID106411354
Molecular FormulaC11H12Cl2N4O3S
Molecular Weight351.22 g/mol
Exact Mass350.00
IUPAC Name3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESNCc1cc(Cl)cc(S(=O)(=O)NCCc2ncon2)c1Cl
InChIInChI=1S/C11H12Cl2N4O3S/c12-8-3-7(5-14)11(13)9(4-8)21(18,19)16-2-1-10-15-6-20-17-10/h3-4,6,16H,1-2,5,14H2
InChIKeyIXUHUFTUUUBPMU-UHFFFAOYSA-N
XLogP1.36
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

5-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392465
5-(aminomethyl)-3-fluoro-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106411399
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 114183471
3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106411260
2-ethyl-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106410619
3-(aminomethyl)-2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071897
3-(aminomethyl)-2,5-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107680363
3-(aminomethyl)-2,5-dichloro-N-(5-methoxypentyl)benzenesulfonamide
CID 106092698
3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106407015
2-(aminomethyl)-5-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410838
3-amino-5-bromo-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392493
3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392459

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (CID 106411354) is 3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is NCc1cc(Cl)cc(S(=O)(=O)NCCc2ncon2)c1Cl.
What is the InChIKey of 3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is IXUHUFTUUUBPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O3S/c12-8-3-7(5-14)11(13)9(4-8)21(18,19)16-2-1-10-15-6-20-17-10/h3-4,6,16H,1-2,5,14H2.
What are the key properties of 3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 351.22 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,5-dichloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106411354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).