2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline

C8H11FN2O2S — CID 164657275

IUPAC2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline
SMILES[H]N=S(C)(=O)Nc1cc(OC)ccc1F
InChIInChI=1S/C8H11FN2O2S/c1-13-6-3-4-7(9)8(5-6)11-14(2,10)12/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyJNCKUNRWJNUYTH-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.84
Rot. Bonds3

About 2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline

2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline (PubChem CID 164657275) has the molecular formula C8H11FN2O2S and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline
PubChem CID164657275
Molecular FormulaC8H11FN2O2S
Molecular Weight218.25 g/mol
Exact Mass218.05
IUPAC Name2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline
SMILES[H]N=S(C)(=O)Nc1cc(OC)ccc1F
InChIInChI=1S/C8H11FN2O2S/c1-13-6-3-4-7(9)8(5-6)11-14(2,10)12/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyJNCKUNRWJNUYTH-UHFFFAOYSA-N
XLogP1.84
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-5-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106071793
1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide
CID 138619993
(2-fluoro-5-methoxyphenyl)hydrazine
CID 34175304
1-fluoro-4-methoxy-2-methylsulfonylbenzene
CID 69311916
2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide
CID 106071796
N-(2-fluoro-5-methoxyphenyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106071794
2-amino-N-(5-bromo-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 43555521
N-(2-fluoro-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071824
5-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)-4-methylthiophene-2-sulfonamide
CID 106071815
3,4-difluoro-N-(2-hydroxy-4-methoxyphenyl)benzenesulfonamide
CID 102695953
1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene
CID 130132950
methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 33492766

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline?
The IUPAC name of 2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline (CID 164657275) is 2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline.
What is the SMILES notation for 2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline?
The canonical SMILES for 2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline is [H]N=S(C)(=O)Nc1cc(OC)ccc1F.
What is the InChIKey of 2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline?
The InChIKey is JNCKUNRWJNUYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2S/c1-13-6-3-4-7(9)8(5-6)11-14(2,10)12/h3-5H,1-2H3,(H2,10,11,12).
What are the key properties of 2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline?
2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline has a molecular weight of 218.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-N-(methylsulfonimidoyl)aniline is sourced from PubChem (CID 164657275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).