4-[(5-amino-3-methyl-1,2-oxazol-4-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

C16H17N7O3S — CID 139235517

IUPAC4-[(5-amino-3-methyl-1,2-oxazol-4-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/c3c(C)noc3N)cc2)n1
InChIInChI=1S/C16H17N7O3S/c1-9-8-10(2)19-16(18-9)23-27(24,25)13-6-4-12(5-7-13)20-21-14-11(3)22-26-15(14)17/h4-8H,17H2,1-3H3,(H,18,19,23)/b21-20+
InChIKeyRIVZUFAMRUYZCR-QZQOTICOSA-N
MW387.43 g/mol
LogP3.19
Rot. Bonds5

About 4-[(5-amino-3-methyl-1,2-oxazol-4-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

4-[(5-amino-3-methyl-1,2-oxazol-4-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 139235517) has the molecular formula C16H17N7O3S and a molecular weight of 387.43 g/mol. Its IUPAC name is 4-[(5-amino-3-methyl-1,2-oxazol-4-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-amino-3-methyl-1,2-oxazol-4-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
PubChem CID139235517
Molecular FormulaC16H17N7O3S
Molecular Weight387.43 g/mol
Exact Mass387.11
IUPAC Name4-[(5-amino-3-methyl-1,2-oxazol-4-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/c3c(C)noc3N)cc2)n1
InChIInChI=1S/C16H17N7O3S/c1-9-8-10(2)19-16(18-9)23-27(24,25)13-6-4-12(5-7-13)20-21-14-11(3)22-26-15(14)17/h4-8H,17H2,1-3H3,(H,18,19,23)/b21-20+
InChIKeyRIVZUFAMRUYZCR-QZQOTICOSA-N
XLogP3.19
TPSA148.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-3-methyl-1,2-oxazol-4-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(5-amino-3-methyl-1,2-oxazol-4-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (CID 139235517) is 4-[(5-amino-3-methyl-1,2-oxazol-4-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(5-amino-3-methyl-1,2-oxazol-4-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(5-amino-3-methyl-1,2-oxazol-4-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/c3c(C)noc3N)cc2)n1.
What is the InChIKey of 4-[(5-amino-3-methyl-1,2-oxazol-4-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is RIVZUFAMRUYZCR-QZQOTICOSA-N. The full InChI is InChI=1S/C16H17N7O3S/c1-9-8-10(2)19-16(18-9)23-27(24,25)13-6-4-12(5-7-13)20-21-14-11(3)22-26-15(14)17/h4-8H,17H2,1-3H3,(H,18,19,23)/b21-20+.
What are the key properties of 4-[(5-amino-3-methyl-1,2-oxazol-4-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
4-[(5-amino-3-methyl-1,2-oxazol-4-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 387.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-3-methyl-1,2-oxazol-4-yl)diazenyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 139235517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).