5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide

C12H16N4O3S — CID 106411081

IUPAC5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2ncon2)cc1CN
InChIInChI=1S/C12H16N4O3S/c1-8-3-9(2)11(4-10(8)5-13)20(17,18)15-6-12-14-7-19-16-12/h3-4,7,15H,5-6,13H2,1-2H3
InChIKeyFHNQZAIIAQBDJO-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.62
Rot. Bonds5

About 5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide

5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide (PubChem CID 106411081) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
PubChem CID106411081
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2ncon2)cc1CN
InChIInChI=1S/C12H16N4O3S/c1-8-3-9(2)11(4-10(8)5-13)20(17,18)15-6-12-14-7-19-16-12/h3-4,7,15H,5-6,13H2,1-2H3
InChIKeyFHNQZAIIAQBDJO-UHFFFAOYSA-N
XLogP0.62
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-5-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410838
4-amino-2-methyl-5-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106407782
5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392187
5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410879
4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106411026
4-cyano-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106399140
5-amino-2-methoxy-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392145
5-methyl-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 114183306
3-(aminomethyl)-4-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410846
3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106410953
5-amino-2,4-dimethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392075
2-amino-5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392142

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide (CID 106411081) is 5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2ncon2)cc1CN.
What is the InChIKey of 5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is FHNQZAIIAQBDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-8-3-9(2)11(4-10(8)5-13)20(17,18)15-6-12-14-7-19-16-12/h3-4,7,15H,5-6,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106411081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).