4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride

C21H23ClN8O3S — CID 24847784

IUPAC4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2)no1.Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1
InChIInChI=1S/C11H11N5.C10H11N3O3S.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h1-7H,(H4,12,13,14);2-6H,11H2,1H3,(H,12,13);1H/b16-15+;;
InChIKeyLZFPZKIWVFOTQE-VRZXRVJBSA-N
MW502.99 g/mol
LogP4.45
Rot. Bonds5

About 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride

4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride (PubChem CID 24847784) has the molecular formula C21H23ClN8O3S and a molecular weight of 502.99 g/mol. Its IUPAC name is 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
PubChem CID24847784
Molecular FormulaC21H23ClN8O3S
Molecular Weight502.99 g/mol
Exact Mass502.13
IUPAC Name4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2)no1.Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1
InChIInChI=1S/C11H11N5.C10H11N3O3S.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h1-7H,(H4,12,13,14);2-6H,11H2,1H3,(H,12,13);1H/b16-15+;;
InChIKeyLZFPZKIWVFOTQE-VRZXRVJBSA-N
XLogP4.45
TPSA187.87 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.99
LogP ≤ 54.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
The IUPAC name of 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride (CID 24847784) is 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride.
What is the SMILES notation for 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
The canonical SMILES for 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride is Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1.Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1.
What is the InChIKey of 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
The InChIKey is LZFPZKIWVFOTQE-VRZXRVJBSA-N. The full InChI is InChI=1S/C11H11N5.C10H11N3O3S.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h1-7H,(H4,12,13,14);2-6H,11H2,1H3,(H,12,13);1H/b16-15+;;.
What are the key properties of 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride?
4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride has a molecular weight of 502.99 g/mol, XLogP of 4.45, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride is sourced from PubChem (CID 24847784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).