2,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline

C11H14F2N2O3S — CID 43098378

IUPAC2,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline
SMILESCC1CN(S(=O)(=O)c2cc(N)c(F)cc2F)CCO1
InChIInChI=1S/C11H14F2N2O3S/c1-7-6-15(2-3-18-7)19(16,17)11-5-10(14)8(12)4-9(11)13/h4-5,7H,2-3,6,14H2,1H3
InChIKeyFLQXDUTUQGIXCB-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.96
Rot. Bonds2

About 2,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline

2,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline (PubChem CID 43098378) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is 2,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline.

Molecular Properties

Compound Name2,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline
PubChem CID43098378
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name2,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline
SMILESCC1CN(S(=O)(=O)c2cc(N)c(F)cc2F)CCO1
InChIInChI=1S/C11H14F2N2O3S/c1-7-6-15(2-3-18-7)19(16,17)11-5-10(14)8(12)4-9(11)13/h4-5,7H,2-3,6,14H2,1H3
InChIKeyFLQXDUTUQGIXCB-UHFFFAOYSA-N
XLogP0.96
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.96
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 2,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline?
The IUPAC name of 2,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline (CID 43098378) is 2,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline.
What is the SMILES notation for 2,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline?
The canonical SMILES for 2,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline is CC1CN(S(=O)(=O)c2cc(N)c(F)cc2F)CCO1.
What is the InChIKey of 2,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline?
The InChIKey is FLQXDUTUQGIXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c1-7-6-15(2-3-18-7)19(16,17)11-5-10(14)8(12)4-9(11)13/h4-5,7H,2-3,6,14H2,1H3.
What are the key properties of 2,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline?
2,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline has a molecular weight of 292.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline is sourced from PubChem (CID 43098378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).