4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline

C11H13F3N2O3S — CID 3619797

IUPAC4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline
SMILESNc1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)9-7-8(1-2-10(9)15)20(17,18)16-3-5-19-6-4-16/h1-2,7H,3-6,15H2
InChIKeyCPKPMXYEZVFPFM-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.31
Rot. Bonds2

About 4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline

4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline (PubChem CID 3619797) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline
PubChem CID3619797
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline
SMILESNc1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c12-11(13,14)9-7-8(1-2-10(9)15)20(17,18)16-3-5-19-6-4-16/h1-2,7H,3-6,15H2
InChIKeyCPKPMXYEZVFPFM-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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Related Compounds

2-bromo-4-morpholin-4-ylsulfonylaniline
CID 54850283
2-bromo-5-morpholin-4-ylsulfonylaniline
CID 115328547
3-chloro-4-(4-morpholin-4-ylsulfonylphenyl)-5-(trifluoromethyl)aniline
CID 118625299
4-(3-methylpiperidin-1-yl)sulfonyl-2-(trifluoromethyl)aniline
CID 170459184
2-(trifluoromethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylaniline
CID 170459185
2-nitro-4-(1,4-oxazepan-4-ylsulfonyl)aniline
CID 62967617
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanamine
CID 28716694
5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline
CID 3868598
2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline
CID 58962640
1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119959379
4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799
2-chloro-4-morpholin-4-ylsulfonylphenol
CID 3821405

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline?
The IUPAC name of 4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline (CID 3619797) is 4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline is Nc1ccc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline?
The InChIKey is CPKPMXYEZVFPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c12-11(13,14)9-7-8(1-2-10(9)15)20(17,18)16-3-5-19-6-4-16/h1-2,7H,3-6,15H2.
What are the key properties of 4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline?
4-morpholin-4-ylsulfonyl-2-(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 4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 3619797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).