sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide

C10H9N4NaO2S — CID 15899898

IUPACsodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide
SMILESNc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Na+]
InChIInChI=1S/C10H9N4O2S.Na/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1
InChIKeyJLDCNMJPBBKAHH-UHFFFAOYSA-N
MW272.27 g/mol
LogP-1.54
Rot. Bonds3

About sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide

sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide (PubChem CID 15899898) has the molecular formula C10H9N4NaO2S and a molecular weight of 272.27 g/mol. Its IUPAC name is sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide.

Molecular Properties

Compound Namesodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide
PubChem CID15899898
Molecular FormulaC10H9N4NaO2S
Molecular Weight272.27 g/mol
Exact Mass272.03
IUPAC Namesodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide
SMILESNc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Na+]
InChIInChI=1S/C10H9N4O2S.Na/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1
InChIKeyJLDCNMJPBBKAHH-UHFFFAOYSA-N
XLogP-1.54
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 5-1.54
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

zinc;bis((4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide);bis(ethane-1,2-diamine);trihydrate
CID 139068419
bis((4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide);nickel(2+);hexakis(pyridine)
CID 139070427
(4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide;1-butyl-3-methylimidazol-3-ium
CID 73213357
CID 6330650
CID 6330650
potassium (4-aminophenyl)sulfonyl-(3-chloropyrazin-2-yl)azanide
CID 155920271
(4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium
CID 139061231
(4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide;N,N-dimethyl-1-(naphthalen-2-ylmethyl)pyridin-1-ium-4-amine
CID 162002730
[4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide
CID 5061548
sodium benzenesulfonyl(pyridin-2-yl)azanide
CID 88642249
4-amino-N-oxido-N-pyrimidin-2-ylbenzenesulfonamide
CID 163893950
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969

Frequently Asked Questions

What is the IUPAC name of sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide?
The IUPAC name of sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide (CID 15899898) is sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide.
What is the SMILES notation for sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide?
The canonical SMILES for sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide is Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Na+].
What is the InChIKey of sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide?
The InChIKey is JLDCNMJPBBKAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N4O2S.Na/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;/h1-7H,11H2;/q-1;+1.
What are the key properties of sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide?
sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide has a molecular weight of 272.27 g/mol, XLogP of -1.54, 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-pyrimidin-2-ylazanide is sourced from PubChem (CID 15899898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).