7-amino-2,3-dihydro-1H-indene-4-sulfonic acid

C9H11NO3S — CID 12683823

IUPAC7-amino-2,3-dihydro-1H-indene-4-sulfonic acid
SMILESNc1ccc(S(=O)(=O)O)c2c1CCC2
InChIInChI=1S/C9H11NO3S/c10-8-4-5-9(14(11,12)13)7-3-1-2-6(7)8/h4-5H,1-3,10H2,(H,11,12,13)
InChIKeyIUOAMLUXPZNOEV-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.00
Rot. Bonds1

About 7-amino-2,3-dihydro-1H-indene-4-sulfonic acid

7-amino-2,3-dihydro-1H-indene-4-sulfonic acid (PubChem CID 12683823) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 7-amino-2,3-dihydro-1H-indene-4-sulfonic acid.

Molecular Properties

Compound Name7-amino-2,3-dihydro-1H-indene-4-sulfonic acid
PubChem CID12683823
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name7-amino-2,3-dihydro-1H-indene-4-sulfonic acid
SMILESNc1ccc(S(=O)(=O)O)c2c1CCC2
InChIInChI=1S/C9H11NO3S/c10-8-4-5-9(14(11,12)13)7-3-1-2-6(7)8/h4-5H,1-3,10H2,(H,11,12,13)
InChIKeyIUOAMLUXPZNOEV-UHFFFAOYSA-N
XLogP1.00
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2,3-dihydro-1H-indene-4-sulfonic acid?
The IUPAC name of 7-amino-2,3-dihydro-1H-indene-4-sulfonic acid (CID 12683823) is 7-amino-2,3-dihydro-1H-indene-4-sulfonic acid.
What is the SMILES notation for 7-amino-2,3-dihydro-1H-indene-4-sulfonic acid?
The canonical SMILES for 7-amino-2,3-dihydro-1H-indene-4-sulfonic acid is Nc1ccc(S(=O)(=O)O)c2c1CCC2.
What is the InChIKey of 7-amino-2,3-dihydro-1H-indene-4-sulfonic acid?
The InChIKey is IUOAMLUXPZNOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c10-8-4-5-9(14(11,12)13)7-3-1-2-6(7)8/h4-5H,1-3,10H2,(H,11,12,13).
What are the key properties of 7-amino-2,3-dihydro-1H-indene-4-sulfonic acid?
7-amino-2,3-dihydro-1H-indene-4-sulfonic acid has a molecular weight of 213.26 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,3-dihydro-1H-indene-4-sulfonic acid is sourced from PubChem (CID 12683823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).