sodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide

C10H10N3NaO3S — CID 15899900

IUPACsodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
SMILESCc1cc([N-]S(=O)(=O)c2ccc(N)cc2)no1.[Na+]
InChIInChI=1S/C10H10N3O3S.Na/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6H,11H2,1H3;/q-1;+1
InChIKeyLARLNXOUTTUXPN-UHFFFAOYSA-N
MW275.27 g/mol
LogP-1.04
Rot. Bonds3

About sodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide

sodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide (PubChem CID 15899900) has the molecular formula C10H10N3NaO3S and a molecular weight of 275.27 g/mol. Its IUPAC name is sodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide.

Molecular Properties

Compound Namesodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
PubChem CID15899900
Molecular FormulaC10H10N3NaO3S
Molecular Weight275.27 g/mol
Exact Mass275.03
IUPAC Namesodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
SMILESCc1cc([N-]S(=O)(=O)c2ccc(N)cc2)no1.[Na+]
InChIInChI=1S/C10H10N3O3S.Na/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6H,11H2,1H3;/q-1;+1
InChIKeyLARLNXOUTTUXPN-UHFFFAOYSA-N
XLogP-1.04
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze sodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide 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 sodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide?
The IUPAC name of sodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide (CID 15899900) is sodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide.
What is the SMILES notation for sodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide?
The canonical SMILES for sodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide is Cc1cc([N-]S(=O)(=O)c2ccc(N)cc2)no1.[Na+].
What is the InChIKey of sodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide?
The InChIKey is LARLNXOUTTUXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N3O3S.Na/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6H,11H2,1H3;/q-1;+1.
What are the key properties of sodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide?
sodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide has a molecular weight of 275.27 g/mol, XLogP of -1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide is sourced from PubChem (CID 15899900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).