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

C11H10N3NaO2S — CID 23667654

IUPACsodium (4-aminophenyl)sulfonyl-pyridin-2-ylazanide
SMILESNc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1.[Na+]
InChIInChI=1S/C11H10N3O2S.Na/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11;/h1-8H,12H2;/q-1;+1
InChIKeyDAINBAXHBFSNCQ-UHFFFAOYSA-N
MW271.28 g/mol
LogP-0.94
Rot. Bonds3

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

sodium (4-aminophenyl)sulfonyl-pyridin-2-ylazanide (PubChem CID 23667654) has the molecular formula C11H10N3NaO2S and a molecular weight of 271.28 g/mol. Its IUPAC name is sodium (4-aminophenyl)sulfonyl-pyridin-2-ylazanide.

Molecular Properties

Compound Namesodium (4-aminophenyl)sulfonyl-pyridin-2-ylazanide
PubChem CID23667654
Molecular FormulaC11H10N3NaO2S
Molecular Weight271.28 g/mol
Exact Mass271.04
IUPAC Namesodium (4-aminophenyl)sulfonyl-pyridin-2-ylazanide
SMILESNc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1.[Na+]
InChIInChI=1S/C11H10N3O2S.Na/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11;/h1-8H,12H2;/q-1;+1
InChIKeyDAINBAXHBFSNCQ-UHFFFAOYSA-N
XLogP-0.94
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-pyridin-2-ylazanide?
The IUPAC name of sodium (4-aminophenyl)sulfonyl-pyridin-2-ylazanide (CID 23667654) is sodium (4-aminophenyl)sulfonyl-pyridin-2-ylazanide.
What is the SMILES notation for sodium (4-aminophenyl)sulfonyl-pyridin-2-ylazanide?
The canonical SMILES for sodium (4-aminophenyl)sulfonyl-pyridin-2-ylazanide is Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1.[Na+].
What is the InChIKey of sodium (4-aminophenyl)sulfonyl-pyridin-2-ylazanide?
The InChIKey is DAINBAXHBFSNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N3O2S.Na/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11;/h1-8H,12H2;/q-1;+1.
What are the key properties of sodium (4-aminophenyl)sulfonyl-pyridin-2-ylazanide?
sodium (4-aminophenyl)sulfonyl-pyridin-2-ylazanide has a molecular weight of 271.28 g/mol, XLogP of -0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4-aminophenyl)sulfonyl-pyridin-2-ylazanide is sourced from PubChem (CID 23667654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).