4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride

C12H21ClN2O4S — CID 120717595

IUPAC4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccc(OC)cc1.Cl
InChIInChI=1S/C12H20N2O4S.ClH/c1-17-10-9-13-7-8-14-19(15,16)12-5-3-11(18-2)4-6-12;/h3-6,13-14H,7-10H2,1-2H3;1H
InChIKeyMOMMSWOFRLQAMQ-UHFFFAOYSA-N
MW324.83 g/mol
LogP0.63
Rot. Bonds9

About 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride

4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120717595) has the molecular formula C12H21ClN2O4S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120717595
Molecular FormulaC12H21ClN2O4S
Molecular Weight324.83 g/mol
Exact Mass324.09
IUPAC Name4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccc(OC)cc1.Cl
InChIInChI=1S/C12H20N2O4S.ClH/c1-17-10-9-13-7-8-14-19(15,16)12-5-3-11(18-2)4-6-12;/h3-6,13-14H,7-10H2,1-2H3;1H
InChIKeyMOMMSWOFRLQAMQ-UHFFFAOYSA-N
XLogP0.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]-4-(4-methoxyphenoxy)benzenesulfonamide;hydrochloride
CID 120717957
N-[2-(2-methoxyethylamino)ethyl]naphthalene-2-sulfonamide
CID 83036908
N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 120717422
4-butan-2-yl-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717880
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-[2-(2-methoxyethylamino)ethylsulfamoyl]-N-methylbenzamide
CID 83036729
4-N-cyclopropyl-1-N-[2-(2-methoxyethylamino)ethyl]benzene-1,4-disulfonamide
CID 120717416
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 5154817
4-(cyanomethyl)-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039708
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039010
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
N-[4-[2-(2-methoxyethylamino)ethylsulfamoyl]phenyl]propanamide
CID 120717366

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120717595) is 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1ccc(OC)cc1.Cl.
What is the InChIKey of 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is MOMMSWOFRLQAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S.ClH/c1-17-10-9-13-7-8-14-19(15,16)12-5-3-11(18-2)4-6-12;/h3-6,13-14H,7-10H2,1-2H3;1H.
What are the key properties of 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 324.83 g/mol, XLogP of 0.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120717595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).