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

C10H9N2NaO2S2 — CID 24846303

IUPACsodium (4-aminophenyl)sulfonyl-thiophen-2-ylazanide
SMILESNc1ccc(S(=O)(=O)[N-]c2cccs2)cc1.[Na+]
InChIInChI=1S/C10H9N2O2S2.Na/c11-8-3-5-9(6-4-8)16(13,14)12-10-2-1-7-15-10;/h1-7H,11H2;/q-1;+1
InChIKeyPFHURUSTABJCHZ-UHFFFAOYSA-N
MW276.32 g/mol
LogP-0.27
Rot. Bonds3

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

sodium (4-aminophenyl)sulfonyl-thiophen-2-ylazanide (PubChem CID 24846303) has the molecular formula C10H9N2NaO2S2 and a molecular weight of 276.32 g/mol. Its IUPAC name is sodium (4-aminophenyl)sulfonyl-thiophen-2-ylazanide.

Molecular Properties

Compound Namesodium (4-aminophenyl)sulfonyl-thiophen-2-ylazanide
PubChem CID24846303
Molecular FormulaC10H9N2NaO2S2
Molecular Weight276.32 g/mol
Exact Mass276.00
IUPAC Namesodium (4-aminophenyl)sulfonyl-thiophen-2-ylazanide
SMILESNc1ccc(S(=O)(=O)[N-]c2cccs2)cc1.[Na+]
InChIInChI=1S/C10H9N2O2S2.Na/c11-8-3-5-9(6-4-8)16(13,14)12-10-2-1-7-15-10;/h1-7H,11H2;/q-1;+1
InChIKeyPFHURUSTABJCHZ-UHFFFAOYSA-N
XLogP-0.27
TPSA74.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-0.27
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-thiophen-2-ylazanide?
The IUPAC name of sodium (4-aminophenyl)sulfonyl-thiophen-2-ylazanide (CID 24846303) is sodium (4-aminophenyl)sulfonyl-thiophen-2-ylazanide.
What is the SMILES notation for sodium (4-aminophenyl)sulfonyl-thiophen-2-ylazanide?
The canonical SMILES for sodium (4-aminophenyl)sulfonyl-thiophen-2-ylazanide is Nc1ccc(S(=O)(=O)[N-]c2cccs2)cc1.[Na+].
What is the InChIKey of sodium (4-aminophenyl)sulfonyl-thiophen-2-ylazanide?
The InChIKey is PFHURUSTABJCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N2O2S2.Na/c11-8-3-5-9(6-4-8)16(13,14)12-10-2-1-7-15-10;/h1-7H,11H2;/q-1;+1.
What are the key properties of sodium (4-aminophenyl)sulfonyl-thiophen-2-ylazanide?
sodium (4-aminophenyl)sulfonyl-thiophen-2-ylazanide has a molecular weight of 276.32 g/mol, XLogP of -0.27, 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-thiophen-2-ylazanide is sourced from PubChem (CID 24846303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).