3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)aniline

C11H13F3N2O3S — CID 155088024

IUPAC3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)8-5-9(15)7-10(6-8)20(17,18)16-1-3-19-4-2-16/h5-7H,1-4,15H2
InChIKeyZOKWNVGLRPDEPT-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.31
Rot. Bonds2

About 3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)aniline

3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)aniline (PubChem CID 155088024) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)aniline
PubChem CID155088024
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)8-5-9(15)7-10(6-8)20(17,18)16-1-3-19-4-2-16/h5-7H,1-4,15H2
InChIKeyZOKWNVGLRPDEPT-UHFFFAOYSA-N
XLogP1.31
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)aniline?
The IUPAC name of 3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)aniline (CID 155088024) is 3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)aniline?
The InChIKey is ZOKWNVGLRPDEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c12-11(13,14)8-5-9(15)7-10(6-8)20(17,18)16-1-3-19-4-2-16/h5-7H,1-4,15H2.
What are the key properties of 3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)aniline?
3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)aniline has a molecular weight of 310.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 155088024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).