2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline

C11H14F2N2O3S — CID 107343186

IUPAC2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline
SMILESCC1COCCN1S(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C11H14F2N2O3S/c1-7-6-18-5-4-15(7)19(16,17)9-3-2-8(12)11(14)10(9)13/h2-3,7H,4-6,14H2,1H3
InChIKeyZLZKURRVXGIMMH-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.96
Rot. Bonds2

About 2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline

2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline (PubChem CID 107343186) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is 2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline.

Molecular Properties

Compound Name2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline
PubChem CID107343186
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline
SMILESCC1COCCN1S(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C11H14F2N2O3S/c1-7-6-18-5-4-15(7)19(16,17)9-3-2-8(12)11(14)10(9)13/h2-3,7H,4-6,14H2,1H3
InChIKeyZLZKURRVXGIMMH-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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Related Compounds

2,4-difluoro-5-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541752
4-chloro-2-(3-methylmorpholin-4-yl)sulfonylaniline
CID 54888902
4-chloro-2-fluoro-5-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773826
3-bromo-4-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 93111095
[3-fluoro-4-(3-methylmorpholin-4-yl)sulfonylphenyl]methanol
CID 79187452
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
4-ethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773841
2,4,6-trimethyl-3-[(3R)-3-methylmorpholin-4-yl]sulfonylaniline
CID 106773727
4-amino-2-[(3R)-3-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 106773819
4-methoxy-3-(3-methylmorpholin-4-yl)sulfonylaniline
CID 43541753
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-2,6-difluoroaniline
CID 107343760
4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine
CID 107326726

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline?
The IUPAC name of 2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline (CID 107343186) is 2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline.
What is the SMILES notation for 2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline?
The canonical SMILES for 2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline is CC1COCCN1S(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline?
The InChIKey is ZLZKURRVXGIMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c1-7-6-18-5-4-15(7)19(16,17)9-3-2-8(12)11(14)10(9)13/h2-3,7H,4-6,14H2,1H3.
What are the key properties of 2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline?
2,6-difluoro-3-(3-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 2,6-difluoro-3-(3-methylmorpholin-4-yl)sulfonylaniline is sourced from PubChem (CID 107343186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).