4-[2-[(4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride

C17H23ClN2O3S — CID 2970120

IUPAC4-[2-[(4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
SMILESCCOc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1.Cl
InChIInChI=1S/C17H22N2O3S.ClH/c1-2-22-16-7-3-15(4-8-16)13-19-12-11-14-5-9-17(10-6-14)23(18,20)21;/h3-10,19H,2,11-13H2,1H3,(H2,18,20,21);1H
InChIKeyJKXYBIMEILRWIR-UHFFFAOYSA-N
MW370.90 g/mol
LogP2.49
Rot. Bonds8

About 4-[2-[(4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride

4-[2-[(4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride (PubChem CID 2970120) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is 4-[2-[(4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[2-[(4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
PubChem CID2970120
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC Name4-[2-[(4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
SMILESCCOc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1.Cl
InChIInChI=1S/C17H22N2O3S.ClH/c1-2-22-16-7-3-15(4-8-16)13-19-12-11-14-5-9-17(10-6-14)23(18,20)21;/h3-10,19H,2,11-13H2,1H3,(H2,18,20,21);1H
InChIKeyJKXYBIMEILRWIR-UHFFFAOYSA-N
XLogP2.49
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[2-[(4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride (CID 2970120) is 4-[2-[(4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[2-[(4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[2-[(4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride is CCOc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1.Cl.
What is the InChIKey of 4-[2-[(4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is JKXYBIMEILRWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S.ClH/c1-2-22-16-7-3-15(4-8-16)13-19-12-11-14-5-9-17(10-6-14)23(18,20)21;/h3-10,19H,2,11-13H2,1H3,(H2,18,20,21);1H.
What are the key properties of 4-[2-[(4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride?
4-[2-[(4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 370.90 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 2970120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).