4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide

C11H12N4O4S — CID 62687596

IUPAC4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)c1nonc1N
InChIInChI=1S/C11H12N4O4S/c1-6-3-4-7(20(2,17)18)5-8(6)13-11(16)9-10(12)15-19-14-9/h3-5H,1-2H3,(H2,12,15)(H,13,16)
InChIKeyWATKQQNFSZRFHO-UHFFFAOYSA-N
MW296.31 g/mol
LogP0.62
Rot. Bonds3

About 4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687596) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687596
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Name4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)c1nonc1N
InChIInChI=1S/C11H12N4O4S/c1-6-3-4-7(20(2,17)18)5-8(6)13-11(16)9-10(12)15-19-14-9/h3-5H,1-2H3,(H2,12,15)(H,13,16)
InChIKeyWATKQQNFSZRFHO-UHFFFAOYSA-N
XLogP0.62
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688137
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687413
4-amino-1-methyl-N-(2-methyl-5-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 65354301
3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide
CID 104741220
4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687389
3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide
CID 27990929
4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687766
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26909371
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26812074
N-(2-methyl-5-methylsulfonylphenyl)quinoxaline-2-carboxamide
CID 27990943
4-amino-N-(2,5-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688302

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide (CID 62687596) is 4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is WATKQQNFSZRFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-6-3-4-7(20(2,17)18)5-8(6)13-11(16)9-10(12)15-19-14-9/h3-5H,1-2H3,(H2,12,15)(H,13,16).
What are the key properties of 4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 296.31 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).