2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylaniline

C18H22N2O5S — CID 3833553

IUPAC2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylaniline
SMILESCCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2N)cc1
InChIInChI=1S/C18H22N2O5S/c1-2-24-14-3-5-15(6-4-14)25-18-8-7-16(13-17(18)19)26(21,22)20-9-11-23-12-10-20/h3-8,13H,2,9-12,19H2,1H3
InChIKeyMKDRWCVWOAWEJV-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.48
Rot. Bonds6

About 2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylaniline

2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylaniline (PubChem CID 3833553) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylaniline
PubChem CID3833553
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylaniline
SMILESCCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2N)cc1
InChIInChI=1S/C18H22N2O5S/c1-2-24-14-3-5-15(6-4-14)25-18-8-7-16(13-17(18)19)26(21,22)20-9-11-23-12-10-20/h3-8,13H,2,9-12,19H2,1H3
InChIKeyMKDRWCVWOAWEJV-UHFFFAOYSA-N
XLogP2.48
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylaniline?
The IUPAC name of 2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylaniline (CID 3833553) is 2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylaniline?
The canonical SMILES for 2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylaniline is CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2N)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylaniline?
The InChIKey is MKDRWCVWOAWEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-2-24-14-3-5-15(6-4-14)25-18-8-7-16(13-17(18)19)26(21,22)20-9-11-23-12-10-20/h3-8,13H,2,9-12,19H2,1H3.
What are the key properties of 2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylaniline?
2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylaniline has a molecular weight of 378.45 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-5-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 3833553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).