5-morpholin-4-ylsulfonyl-2-phenoxyaniline

C16H18N2O4S — CID 3809457

IUPAC5-morpholin-4-ylsulfonyl-2-phenoxyaniline
SMILESNc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1
InChIInChI=1S/C16H18N2O4S/c17-15-12-14(23(19,20)18-8-10-21-11-9-18)6-7-16(15)22-13-4-2-1-3-5-13/h1-7,12H,8-11,17H2
InChIKeyOPDRFNOUUAEXNH-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.08
Rot. Bonds4

About 5-morpholin-4-ylsulfonyl-2-phenoxyaniline

5-morpholin-4-ylsulfonyl-2-phenoxyaniline (PubChem CID 3809457) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-2-phenoxyaniline.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-2-phenoxyaniline
PubChem CID3809457
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name5-morpholin-4-ylsulfonyl-2-phenoxyaniline
SMILESNc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1
InChIInChI=1S/C16H18N2O4S/c17-15-12-14(23(19,20)18-8-10-21-11-9-18)6-7-16(15)22-13-4-2-1-3-5-13/h1-7,12H,8-11,17H2
InChIKeyOPDRFNOUUAEXNH-UHFFFAOYSA-N
XLogP2.08
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonyl-2-phenoxyaniline?
The IUPAC name of 5-morpholin-4-ylsulfonyl-2-phenoxyaniline (CID 3809457) is 5-morpholin-4-ylsulfonyl-2-phenoxyaniline.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-2-phenoxyaniline?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-2-phenoxyaniline is Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-2-phenoxyaniline?
The InChIKey is OPDRFNOUUAEXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c17-15-12-14(23(19,20)18-8-10-21-11-9-18)6-7-16(15)22-13-4-2-1-3-5-13/h1-7,12H,8-11,17H2.
What are the key properties of 5-morpholin-4-ylsulfonyl-2-phenoxyaniline?
5-morpholin-4-ylsulfonyl-2-phenoxyaniline has a molecular weight of 334.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonyl-2-phenoxyaniline is sourced from PubChem (CID 3809457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).