4-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]benzenesulfonamide;hydrochloride

C17H21ClN2O2S — CID 6461305

IUPAC4-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CCNC/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2S.ClH/c18-22(20,21)17-10-8-16(9-11-17)12-14-19-13-4-7-15-5-2-1-3-6-15;/h1-11,19H,12-14H2,(H2,18,20,21);1H/b7-4+;
InChIKeyBTHSICCQCCGPHV-KQGICBIGSA-N
MW352.89 g/mol
LogP2.60
Rot. Bonds7

About 4-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]benzenesulfonamide;hydrochloride

4-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 6461305) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is 4-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]benzenesulfonamide;hydrochloride
PubChem CID6461305
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC Name4-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CCNC/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2S.ClH/c18-22(20,21)17-10-8-16(9-11-17)12-14-19-13-4-7-15-5-2-1-3-6-15;/h1-11,19H,12-14H2,(H2,18,20,21);1H/b7-4+;
InChIKeyBTHSICCQCCGPHV-KQGICBIGSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]benzenesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]benzenesulfonamide;hydrochloride (CID 6461305) is 4-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]benzenesulfonamide;hydrochloride is Cl.NS(=O)(=O)c1ccc(CCNC/C=C/c2ccccc2)cc1.
What is the InChIKey of 4-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is BTHSICCQCCGPHV-KQGICBIGSA-N. The full InChI is InChI=1S/C17H20N2O2S.ClH/c18-22(20,21)17-10-8-16(9-11-17)12-14-19-13-4-7-15-5-2-1-3-6-15;/h1-11,19H,12-14H2,(H2,18,20,21);1H/b7-4+;.
What are the key properties of 4-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]benzenesulfonamide;hydrochloride?
4-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 352.89 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(E)-3-phenylprop-2-enyl]amino]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 6461305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).