sodium (4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide

C11H11N4NaO2S — CID 15899899

IUPACsodium (4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide
SMILESCc1ccnc([N-]S(=O)(=O)c2ccc(N)cc2)n1.[Na+]
InChIInChI=1S/C11H11N4O2S.Na/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10;/h2-7H,12H2,1H3;/q-1;+1
InChIKeyBSFJGCCAXDCMOX-UHFFFAOYSA-N
MW286.29 g/mol
LogP-1.23
Rot. Bonds3

About sodium (4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide

sodium (4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide (PubChem CID 15899899) has the molecular formula C11H11N4NaO2S and a molecular weight of 286.29 g/mol. Its IUPAC name is sodium (4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide.

Molecular Properties

Compound Namesodium (4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide
PubChem CID15899899
Molecular FormulaC11H11N4NaO2S
Molecular Weight286.29 g/mol
Exact Mass286.05
IUPAC Namesodium (4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide
SMILESCc1ccnc([N-]S(=O)(=O)c2ccc(N)cc2)n1.[Na+]
InChIInChI=1S/C11H11N4O2S.Na/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10;/h2-7H,12H2,1H3;/q-1;+1
InChIKeyBSFJGCCAXDCMOX-UHFFFAOYSA-N
XLogP-1.23
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium (4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide?
The IUPAC name of sodium (4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide (CID 15899899) is sodium (4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide.
What is the SMILES notation for sodium (4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide?
The canonical SMILES for sodium (4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide is Cc1ccnc([N-]S(=O)(=O)c2ccc(N)cc2)n1.[Na+].
What is the InChIKey of sodium (4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide?
The InChIKey is BSFJGCCAXDCMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N4O2S.Na/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10;/h2-7H,12H2,1H3;/q-1;+1.
What are the key properties of sodium (4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide?
sodium (4-aminophenyl)sulfonyl-(4-methylpyrimidin-2-yl)azanide has a molecular weight of 286.29 g/mol, XLogP of -1.23, 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-(4-methylpyrimidin-2-yl)azanide is sourced from PubChem (CID 15899899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).