5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide

C19H25FN2O4S — CID 67896278

IUPAC5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CC(C)NCCOc2cccc(F)c2C)cc1S(N)(=O)=O
InChIInChI=1S/C19H25FN2O4S/c1-13(22-9-10-26-17-6-4-5-16(20)14(17)2)11-15-7-8-18(25-3)19(12-15)27(21,23)24/h4-8,12-13,22H,9-11H2,1-3H3,(H2,21,23,24)
InChIKeyACYKXYIQXHEXSX-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.39
Rot. Bonds9

About 5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide

5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide (PubChem CID 67896278) has the molecular formula C19H25FN2O4S and a molecular weight of 396.48 g/mol. Its IUPAC name is 5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
PubChem CID67896278
Molecular FormulaC19H25FN2O4S
Molecular Weight396.48 g/mol
Exact Mass396.15
IUPAC Name5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CC(C)NCCOc2cccc(F)c2C)cc1S(N)(=O)=O
InChIInChI=1S/C19H25FN2O4S/c1-13(22-9-10-26-17-6-4-5-16(20)14(17)2)11-15-7-8-18(25-3)19(12-15)27(21,23)24/h4-8,12-13,22H,9-11H2,1-3H3,(H2,21,23,24)
InChIKeyACYKXYIQXHEXSX-UHFFFAOYSA-N
XLogP2.39
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.39
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

5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
CID 70876190
5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;hydron;chloride
CID 74393239
2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide
CID 96869335
[2-[2-[[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]amino]ethoxy]phenyl] hydrogen sulfate
CID 154731599
5-[2-[4-(5-fluoro-2-methoxyphenoxy)butylamino]propyl]-2-methoxybenzenesulfonamide
CID 15034474
5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;oxalic acid
CID 25009120
5-[2-[2-(3-fluoro-2-methoxyphenoxy)ethylamino]propyl]-2-methoxy-N-methylbenzenesulfonamide
CID 67896034
5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;4-methylbenzenesulfonic acid
CID 87844412
N-[2-(2-methoxyphenoxy)ethyl]-1-(4-methoxy-3-propan-2-ylsulfonylphenyl)propan-2-amine
CID 14676142
2-ethoxy-5-[2-[2-(2-ethoxy-5-fluorophenoxy)ethylamino]propyl]benzenesulfonamide;hydrochloride
CID 22157065
5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide
CID 10382246
N-chloro-5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;hydrate
CID 87960691

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide (CID 67896278) is 5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide is COc1ccc(CC(C)NCCOc2cccc(F)c2C)cc1S(N)(=O)=O.
What is the InChIKey of 5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide?
The InChIKey is ACYKXYIQXHEXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4S/c1-13(22-9-10-26-17-6-4-5-16(20)14(17)2)11-15-7-8-18(25-3)19(12-15)27(21,23)24/h4-8,12-13,22H,9-11H2,1-3H3,(H2,21,23,24).
What are the key properties of 5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide?
5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide has a molecular weight of 396.48 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 67896278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).