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

C22H24N8O3S — CID 56843144

IUPAC4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine
SMILESCc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.Nc1ccc(/N=N/c2ccccc2)c(N)n1
InChIInChI=1S/C11H11N5.C11H13N3O3S/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h1-7H,(H4,12,13,14);3-6,14H,12H2,1-2H3/b16-15+;
InChIKeyMEVQYSOOVMLERC-GEEYTBSJSA-N
MW480.55 g/mol
LogP4.34
Rot. Bonds5

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

4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine (PubChem CID 56843144) has the molecular formula C22H24N8O3S and a molecular weight of 480.55 g/mol. Its IUPAC name is 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine.

Molecular Properties

Compound Name4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine
PubChem CID56843144
Molecular FormulaC22H24N8O3S
Molecular Weight480.55 g/mol
Exact Mass480.17
IUPAC Name4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine
SMILESCc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.Nc1ccc(/N=N/c2ccccc2)c(N)n1
InChIInChI=1S/C11H11N5.C11H13N3O3S/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h1-7H,(H4,12,13,14);3-6,14H,12H2,1-2H3/b16-15+;
InChIKeyMEVQYSOOVMLERC-GEEYTBSJSA-N
XLogP4.34
TPSA187.87 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 54.34
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'}

Analyze 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine?
The IUPAC name of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine (CID 56843144) is 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine.
What is the SMILES notation for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine?
The canonical SMILES for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine is Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.Nc1ccc(/N=N/c2ccccc2)c(N)n1.
What is the InChIKey of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine?
The InChIKey is MEVQYSOOVMLERC-GEEYTBSJSA-N. The full InChI is InChI=1S/C11H11N5.C11H13N3O3S/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h1-7H,(H4,12,13,14);3-6,14H,12H2,1-2H3/b16-15+;.
What are the key properties of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine?
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine has a molecular weight of 480.55 g/mol, XLogP of 4.34, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine is sourced from PubChem (CID 56843144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).