5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide

C18H23FN2O4S — CID 70876190

IUPAC5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C[C@@H](C)NCCOc2ccccc2F)cc1S(N)(=O)=O
InChIInChI=1S/C18H23FN2O4S/c1-13(21-9-10-25-16-6-4-3-5-15(16)19)11-14-7-8-17(24-2)18(12-14)26(20,22)23/h3-8,12-13,21H,9-11H2,1-2H3,(H2,20,22,23)/t13-/m1/s1
InChIKeyRBSHLKVGMFZPTH-CYBMUJFWSA-N
MW382.46 g/mol
LogP2.08
Rot. Bonds9

About 5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide

5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide (PubChem CID 70876190) has the molecular formula C18H23FN2O4S and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
PubChem CID70876190
Molecular FormulaC18H23FN2O4S
Molecular Weight382.46 g/mol
Exact Mass382.14
IUPAC Name5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C[C@@H](C)NCCOc2ccccc2F)cc1S(N)(=O)=O
InChIInChI=1S/C18H23FN2O4S/c1-13(21-9-10-25-16-6-4-3-5-15(16)19)11-14-7-8-17(24-2)18(12-14)26(20,22)23/h3-8,12-13,21H,9-11H2,1-2H3,(H2,20,22,23)/t13-/m1/s1
InChIKeyRBSHLKVGMFZPTH-CYBMUJFWSA-N
XLogP2.08
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.08
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-[2-[2-(3-fluoro-2-methylphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
CID 67896278
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-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;oxalic acid
CID 25009120
5-[2-[4-(5-fluoro-2-methoxyphenoxy)butylamino]propyl]-2-methoxybenzenesulfonamide
CID 15034474
N-[2-(2-methoxyphenoxy)ethyl]-1-(4-methoxy-3-propan-2-ylsulfonylphenyl)propan-2-amine
CID 14676142
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
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-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide (CID 70876190) is 5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide is COc1ccc(C[C@@H](C)NCCOc2ccccc2F)cc1S(N)(=O)=O.
What is the InChIKey of 5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide?
The InChIKey is RBSHLKVGMFZPTH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23FN2O4S/c1-13(21-9-10-25-16-6-4-3-5-15(16)19)11-14-7-8-17(24-2)18(12-14)26(20,22)23/h3-8,12-13,21H,9-11H2,1-2H3,(H2,20,22,23)/t13-/m1/s1.
What are the key properties of 5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide?
5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide has a molecular weight of 382.46 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 70876190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).