(4-aminophenyl) thiophene-2-sulfonate

C10H9NO3S2 — CID 58791015

IUPAC(4-aminophenyl) thiophene-2-sulfonate
SMILESNc1ccc(OS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C10H9NO3S2/c11-8-3-5-9(6-4-8)14-16(12,13)10-2-1-7-15-10/h1-7H,11H2
InChIKeyDLBZWXYZFFSPPX-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.10
Rot. Bonds3

About (4-aminophenyl) thiophene-2-sulfonate

(4-aminophenyl) thiophene-2-sulfonate (PubChem CID 58791015) has the molecular formula C10H9NO3S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (4-aminophenyl) thiophene-2-sulfonate.

Molecular Properties

Compound Name(4-aminophenyl) thiophene-2-sulfonate
PubChem CID58791015
Molecular FormulaC10H9NO3S2
Molecular Weight255.32 g/mol
Exact Mass255.00
IUPAC Name(4-aminophenyl) thiophene-2-sulfonate
SMILESNc1ccc(OS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C10H9NO3S2/c11-8-3-5-9(6-4-8)14-16(12,13)10-2-1-7-15-10/h1-7H,11H2
InChIKeyDLBZWXYZFFSPPX-UHFFFAOYSA-N
XLogP2.10
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) thiophene-2-sulfonate?
The IUPAC name of (4-aminophenyl) thiophene-2-sulfonate (CID 58791015) is (4-aminophenyl) thiophene-2-sulfonate.
What is the SMILES notation for (4-aminophenyl) thiophene-2-sulfonate?
The canonical SMILES for (4-aminophenyl) thiophene-2-sulfonate is Nc1ccc(OS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of (4-aminophenyl) thiophene-2-sulfonate?
The InChIKey is DLBZWXYZFFSPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S2/c11-8-3-5-9(6-4-8)14-16(12,13)10-2-1-7-15-10/h1-7H,11H2.
What are the key properties of (4-aminophenyl) thiophene-2-sulfonate?
(4-aminophenyl) thiophene-2-sulfonate has a molecular weight of 255.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl) thiophene-2-sulfonate is sourced from PubChem (CID 58791015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).