2-(4-amino-2-chloroanilino)ethanol;sulfuric acid

C8H13ClN2O5S — CID 70564055

IUPAC2-(4-amino-2-chloroanilino)ethanol;sulfuric acid
SMILESNc1ccc(NCCO)c(Cl)c1.O=S(=O)(O)O
InChIInChI=1S/C8H11ClN2O.H2O4S/c9-7-5-6(10)1-2-8(7)11-3-4-12;1-5(2,3)4/h1-2,5,11-12H,3-4,10H2;(H2,1,2,3,4)
InChIKeyZRWWZEBWBMSNLF-UHFFFAOYSA-N
MW284.72 g/mol
LogP0.67
Rot. Bonds3

About 2-(4-amino-2-chloroanilino)ethanol;sulfuric acid

2-(4-amino-2-chloroanilino)ethanol;sulfuric acid (PubChem CID 70564055) has the molecular formula C8H13ClN2O5S and a molecular weight of 284.72 g/mol. Its IUPAC name is 2-(4-amino-2-chloroanilino)ethanol;sulfuric acid.

Molecular Properties

Compound Name2-(4-amino-2-chloroanilino)ethanol;sulfuric acid
PubChem CID70564055
Molecular FormulaC8H13ClN2O5S
Molecular Weight284.72 g/mol
Exact Mass284.02
IUPAC Name2-(4-amino-2-chloroanilino)ethanol;sulfuric acid
SMILESNc1ccc(NCCO)c(Cl)c1.O=S(=O)(O)O
InChIInChI=1S/C8H11ClN2O.H2O4S/c9-7-5-6(10)1-2-8(7)11-3-4-12;1-5(2,3)4/h1-2,5,11-12H,3-4,10H2;(H2,1,2,3,4)
InChIKeyZRWWZEBWBMSNLF-UHFFFAOYSA-N
XLogP0.67
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 50.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 2-(4-amino-2-chloroanilino)ethanol;sulfuric acid?
The IUPAC name of 2-(4-amino-2-chloroanilino)ethanol;sulfuric acid (CID 70564055) is 2-(4-amino-2-chloroanilino)ethanol;sulfuric acid.
What is the SMILES notation for 2-(4-amino-2-chloroanilino)ethanol;sulfuric acid?
The canonical SMILES for 2-(4-amino-2-chloroanilino)ethanol;sulfuric acid is Nc1ccc(NCCO)c(Cl)c1.O=S(=O)(O)O.
What is the InChIKey of 2-(4-amino-2-chloroanilino)ethanol;sulfuric acid?
The InChIKey is ZRWWZEBWBMSNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O.H2O4S/c9-7-5-6(10)1-2-8(7)11-3-4-12;1-5(2,3)4/h1-2,5,11-12H,3-4,10H2;(H2,1,2,3,4).
What are the key properties of 2-(4-amino-2-chloroanilino)ethanol;sulfuric acid?
2-(4-amino-2-chloroanilino)ethanol;sulfuric acid has a molecular weight of 284.72 g/mol, XLogP of 0.67, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chloroanilino)ethanol;sulfuric acid is sourced from PubChem (CID 70564055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).