5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

C12H16N4O3S — CID 61126774

IUPAC5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1noc(CNS(=O)(=O)c2cc(N)cc(C)c2C)n1
InChIInChI=1S/C12H16N4O3S/c1-7-4-10(13)5-11(8(7)2)20(17,18)14-6-12-15-9(3)16-19-12/h4-5,14H,6,13H2,1-3H3
InChIKeyIXQUFIFKAPQXLU-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.06
Rot. Bonds4

About 5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 61126774) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
PubChem CID61126774
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1noc(CNS(=O)(=O)c2cc(N)cc(C)c2C)n1
InChIInChI=1S/C12H16N4O3S/c1-7-4-10(13)5-11(8(7)2)20(17,18)14-6-12-15-9(3)16-19-12/h4-5,14H,6,13H2,1-3H3
InChIKeyIXQUFIFKAPQXLU-UHFFFAOYSA-N
XLogP1.06
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 61127981
3-amino-2-bromo-5-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 62957769
2-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide
CID 62151663
2-chloro-5-cyano-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 80704491
2-fluoro-4-(methylaminomethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 79179656
3-bromo-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoic acid
CID 61013879
3-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 81259149
5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64602460
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylsulfonylaniline
CID 43074571
2-iodo-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoic acid
CID 103962380
2-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfamoyl]benzoic acid
CID 61014864

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (CID 61126774) is 5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is Cc1noc(CNS(=O)(=O)c2cc(N)cc(C)c2C)n1.
What is the InChIKey of 5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is IXQUFIFKAPQXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-7-4-10(13)5-11(8(7)2)20(17,18)14-6-12-15-9(3)16-19-12/h4-5,14H,6,13H2,1-3H3.
What are the key properties of 5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 61126774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).