2-(4-aminophenyl)ethanesulfonamide;hydrochloride

C8H13ClN2O2S — CID 6602853

IUPAC2-(4-aminophenyl)ethanesulfonamide;hydrochloride
SMILESCl.Nc1ccc(CCS(N)(=O)=O)cc1
InChIInChI=1S/C8H12N2O2S.ClH/c9-8-3-1-7(2-4-8)5-6-13(10,11)12;/h1-4H,5-6,9H2,(H2,10,11,12);1H
InChIKeyQZNOQEJYNFWDGT-UHFFFAOYSA-N
MW236.72 g/mol
LogP0.52
Rot. Bonds3

About 2-(4-aminophenyl)ethanesulfonamide;hydrochloride

2-(4-aminophenyl)ethanesulfonamide;hydrochloride (PubChem CID 6602853) has the molecular formula C8H13ClN2O2S and a molecular weight of 236.72 g/mol. Its IUPAC name is 2-(4-aminophenyl)ethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)ethanesulfonamide;hydrochloride
PubChem CID6602853
Molecular FormulaC8H13ClN2O2S
Molecular Weight236.72 g/mol
Exact Mass236.04
IUPAC Name2-(4-aminophenyl)ethanesulfonamide;hydrochloride
SMILESCl.Nc1ccc(CCS(N)(=O)=O)cc1
InChIInChI=1S/C8H12N2O2S.ClH/c9-8-3-1-7(2-4-8)5-6-13(10,11)12;/h1-4H,5-6,9H2,(H2,10,11,12);1H
InChIKeyQZNOQEJYNFWDGT-UHFFFAOYSA-N
XLogP0.52
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)ethanesulfonamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)ethanesulfonamide;hydrochloride (CID 6602853) is 2-(4-aminophenyl)ethanesulfonamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)ethanesulfonamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)ethanesulfonamide;hydrochloride is Cl.Nc1ccc(CCS(N)(=O)=O)cc1.
What is the InChIKey of 2-(4-aminophenyl)ethanesulfonamide;hydrochloride?
The InChIKey is QZNOQEJYNFWDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S.ClH/c9-8-3-1-7(2-4-8)5-6-13(10,11)12;/h1-4H,5-6,9H2,(H2,10,11,12);1H.
What are the key properties of 2-(4-aminophenyl)ethanesulfonamide;hydrochloride?
2-(4-aminophenyl)ethanesulfonamide;hydrochloride has a molecular weight of 236.72 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)ethanesulfonamide;hydrochloride is sourced from PubChem (CID 6602853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).