potassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide

C11H12KN3O3S — CID 177463125

IUPACpotassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
SMILESCc1noc([N-]S(=O)(=O)c2ccc(N)cc2)c1C.[K+]
InChIInChI=1S/C11H12N3O3S.K/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;/h3-6H,12H2,1-2H3;/q-1;+1
InChIKeyHBPLLQLTYIKGBE-UHFFFAOYSA-N
MW305.40 g/mol
LogP-0.73
Rot. Bonds3

About potassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide

potassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide (PubChem CID 177463125) has the molecular formula C11H12KN3O3S and a molecular weight of 305.40 g/mol. Its IUPAC name is potassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide.

Molecular Properties

Compound Namepotassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
PubChem CID177463125
Molecular FormulaC11H12KN3O3S
Molecular Weight305.40 g/mol
Exact Mass305.02
IUPAC Namepotassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
SMILESCc1noc([N-]S(=O)(=O)c2ccc(N)cc2)c1C.[K+]
InChIInChI=1S/C11H12N3O3S.K/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;/h3-6H,12H2,1-2H3;/q-1;+1
InChIKeyHBPLLQLTYIKGBE-UHFFFAOYSA-N
XLogP-0.73
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

silver (4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
CID 4164477
[4-[(4-chlorobenzoyl)amino]phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
CID 4747510
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5344
CID 6330650
CID 6330650
[4-(3-cyclohexylpropanoylamino)phenyl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
CID 2059807
zinc bis((4-aminophenyl)sulfonyl-(1,2-oxazol-3-yl)azanide)
CID 171040843
N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
CID 6662
sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide
CID 15899898
bis(4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide);2-(2-hydroxyethylamino)ethanol
CID 66830855
potassium (4-aminophenyl)sulfonyl-(3-chloropyrazin-2-yl)azanide
CID 155920271
CID 57350054
CID 57350054
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzenesulfonamide
CID 65487179

Frequently Asked Questions

What is the IUPAC name of potassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide?
The IUPAC name of potassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide (CID 177463125) is potassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide.
What is the SMILES notation for potassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide?
The canonical SMILES for potassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide is Cc1noc([N-]S(=O)(=O)c2ccc(N)cc2)c1C.[K+].
What is the InChIKey of potassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide?
The InChIKey is HBPLLQLTYIKGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N3O3S.K/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;/h3-6H,12H2,1-2H3;/q-1;+1.
What are the key properties of potassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide?
potassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide has a molecular weight of 305.40 g/mol, XLogP of -0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4-aminophenyl)sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide is sourced from PubChem (CID 177463125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).