2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline

C13H19FN2O3S — CID 82843726

IUPAC2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
SMILESCC1CN(S(=O)(=O)c2ccc(N)c(F)c2)CC(C)(C)O1
InChIInChI=1S/C13H19FN2O3S/c1-9-7-16(8-13(2,3)19-9)20(17,18)10-4-5-12(15)11(14)6-10/h4-6,9H,7-8,15H2,1-3H3
InChIKeyNGPVBIFFUUGVGE-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.60
Rot. Bonds2

About 2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline

2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline (PubChem CID 82843726) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline.

Molecular Properties

Compound Name2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
PubChem CID82843726
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
SMILESCC1CN(S(=O)(=O)c2ccc(N)c(F)c2)CC(C)(C)O1
InChIInChI=1S/C13H19FN2O3S/c1-9-7-16(8-13(2,3)19-9)20(17,18)10-4-5-12(15)11(14)6-10/h4-6,9H,7-8,15H2,1-3H3
InChIKeyNGPVBIFFUUGVGE-UHFFFAOYSA-N
XLogP1.60
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.60
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

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
CID 82844225
4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-fluoroaniline
CID 82844575
2,6-difluoro-3-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 107343465
4-(benzenesulfonyl)-2,2,6-trimethylmorpholine
CID 47429979
4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine
CID 48629637
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2,2,6-trimethylmorpholine
CID 48629728
[4-(4-amino-3-fluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931883
2-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)sulfonylaniline
CID 82843883
N-ethyl-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 62157747
3-chloro-5-(2,2,6-trimethylmorpholin-4-yl)sulfonylpyridin-2-amine
CID 64602066
2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine
CID 47429920
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2,2,6-trimethylmorpholine
CID 64608987

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline?
The IUPAC name of 2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline (CID 82843726) is 2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline.
What is the SMILES notation for 2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline?
The canonical SMILES for 2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline is CC1CN(S(=O)(=O)c2ccc(N)c(F)c2)CC(C)(C)O1.
What is the InChIKey of 2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline?
The InChIKey is NGPVBIFFUUGVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-9-7-16(8-13(2,3)19-9)20(17,18)10-4-5-12(15)11(14)6-10/h4-6,9H,7-8,15H2,1-3H3.
What are the key properties of 2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline?
2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline has a molecular weight of 302.37 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline is sourced from PubChem (CID 82843726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).