5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-hydroxybenzenesulfonamide

C19H26N2O5S — CID 11510266

IUPAC5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-hydroxybenzenesulfonamide
SMILESCCOc1ccccc1OCCNC(C)Cc1ccc(O)c(S(N)(=O)=O)c1
InChIInChI=1S/C19H26N2O5S/c1-3-25-17-6-4-5-7-18(17)26-11-10-21-14(2)12-15-8-9-16(22)19(13-15)27(20,23)24/h4-9,13-14,21-22H,3,10-12H2,1-2H3,(H2,20,23,24)
InChIKeyUIDNSBDGPKUJHU-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.04
Rot. Bonds10

About 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-hydroxybenzenesulfonamide

5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-hydroxybenzenesulfonamide (PubChem CID 11510266) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-hydroxybenzenesulfonamide
PubChem CID11510266
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-hydroxybenzenesulfonamide
SMILESCCOc1ccccc1OCCNC(C)Cc1ccc(O)c(S(N)(=O)=O)c1
InChIInChI=1S/C19H26N2O5S/c1-3-25-17-6-4-5-7-18(17)26-11-10-21-14(2)12-15-8-9-16(22)19(13-15)27(20,23)24/h4-9,13-14,21-22H,3,10-12H2,1-2H3,(H2,20,23,24)
InChIKeyUIDNSBDGPKUJHU-UHFFFAOYSA-N
XLogP2.04
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-hydroxybenzenesulfonamide (CID 11510266) is 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-hydroxybenzenesulfonamide is CCOc1ccccc1OCCNC(C)Cc1ccc(O)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-hydroxybenzenesulfonamide?
The InChIKey is UIDNSBDGPKUJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-3-25-17-6-4-5-7-18(17)26-11-10-21-14(2)12-15-8-9-16(22)19(13-15)27(20,23)24/h4-9,13-14,21-22H,3,10-12H2,1-2H3,(H2,20,23,24).
What are the key properties of 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-hydroxybenzenesulfonamide?
5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-hydroxybenzenesulfonamide has a molecular weight of 394.49 g/mol, XLogP of 2.04, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 11510266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).