5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline

C11H14F2N2O3S — CID 22752978

IUPAC5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline
SMILESNc1cc(S(=O)(=O)C(F)F)ccc1N1CCOCC1
InChIInChI=1S/C11H14F2N2O3S/c12-11(13)19(16,17)8-1-2-10(9(14)7-8)15-3-5-18-6-4-15/h1-2,7,11H,3-6,14H2
InChIKeyXXTDOTKWMUXOFA-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.10
Rot. Bonds3

About 5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline

5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline (PubChem CID 22752978) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline.

Molecular Properties

Compound Name5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline
PubChem CID22752978
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline
SMILESNc1cc(S(=O)(=O)C(F)F)ccc1N1CCOCC1
InChIInChI=1S/C11H14F2N2O3S/c12-11(13)19(16,17)8-1-2-10(9(14)7-8)15-3-5-18-6-4-15/h1-2,7,11H,3-6,14H2
InChIKeyXXTDOTKWMUXOFA-UHFFFAOYSA-N
XLogP1.10
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(1,4-oxazepan-4-yl)benzenesulfonamide
CID 62988486
4-[2-(difluoromethylsulfonyl)phenyl]morpholine
CID 133282213
5-amino-2-[2-amino-4-(difluoromethylsulfonyl)phenyl]-4H-pyrazol-3-one
CID 4208209
5-methyl-2-morpholin-4-ylaniline
CID 18952141
2-morpholin-4-yl-5-propan-2-ylaniline
CID 22752981
5-(2-methylpropyl)-2-morpholin-4-ylaniline
CID 18952283
2-(3-amino-4-morpholin-4-ylanilino)ethanol;sulfuric acid
CID 70195470
4-amino-N,N-dimethyl-3-morpholin-4-ylbenzenesulfonamide
CID 82899628
5-chloro-2-(1,4-oxazepan-4-yl)aniline
CID 62987959
5-bromo-2-(1,4-oxazepan-4-yl)aniline
CID 62988135
5-(azepan-1-ylsulfonyl)-2-pyrrolidin-1-ylaniline
CID 28796027
2-amino-1-(3-amino-4-morpholin-4-ylphenyl)ethanone
CID 170860466

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline?
The IUPAC name of 5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline (CID 22752978) is 5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline.
What is the SMILES notation for 5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline?
The canonical SMILES for 5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline is Nc1cc(S(=O)(=O)C(F)F)ccc1N1CCOCC1.
What is the InChIKey of 5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline?
The InChIKey is XXTDOTKWMUXOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c12-11(13)19(16,17)8-1-2-10(9(14)7-8)15-3-5-18-6-4-15/h1-2,7,11H,3-6,14H2.
What are the key properties of 5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline?
5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline has a molecular weight of 292.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfonyl)-2-morpholin-4-ylaniline is sourced from PubChem (CID 22752978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).