4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide

C11H13N5O4S — CID 62687413

IUPAC4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)c2nonc2N)c1C
InChIInChI=1S/C11H13N5O4S/c1-5-3-7(21(13,18)19)4-8(6(5)2)14-11(17)9-10(12)16-20-15-9/h3-4H,1-2H3,(H2,12,16)(H,14,17)(H2,13,18,19)
InChIKeyLJIPYJULIWTPSO-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.17
Rot. Bonds3

About 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687413) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687413
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC Name4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)c2nonc2N)c1C
InChIInChI=1S/C11H13N5O4S/c1-5-3-7(21(13,18)19)4-8(6(5)2)14-11(17)9-10(12)16-20-15-9/h3-4H,1-2H3,(H2,12,16)(H,14,17)(H2,13,18,19)
InChIKeyLJIPYJULIWTPSO-UHFFFAOYSA-N
XLogP0.17
TPSA154.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-(2-methyl-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687596
4-amino-N-(2-fluoro-5-methylsulfonylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688137
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687766
4-amino-N-(4-bromo-2-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687389
N-(2,3-dimethyl-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9141418
4-amino-N-(2,4,5-trichlorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103950
4-amino-N-(2-chloro-5-methyl-3-pyridinyl)-1,2,5-oxadiazole-3-carboxamide
CID 114050962
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide
CID 9141346
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
N-(2,3-dimethyl-5-sulfamoylphenyl)-2,5-dimethoxybenzamide
CID 9141653
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 60668178

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide (CID 62687413) is 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)c2nonc2N)c1C.
What is the InChIKey of 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is LJIPYJULIWTPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c1-5-3-7(21(13,18)19)4-8(6(5)2)14-11(17)9-10(12)16-20-15-9/h3-4H,1-2H3,(H2,12,16)(H,14,17)(H2,13,18,19).
What are the key properties of 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).