N-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline

C9H13FN2OS — CID 164657353

IUPACN-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline
SMILES[H]N=S(=O)(CC)Nc1c(C)cccc1F
InChIInChI=1S/C9H13FN2OS/c1-3-14(11,13)12-9-7(2)5-4-6-8(9)10/h4-6H,3H2,1-2H3,(H2,11,12,13)
InChIKeyPMPVBTGFLRQWQX-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.53
Rot. Bonds3

About N-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline

N-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline (PubChem CID 164657353) has the molecular formula C9H13FN2OS and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline.

Molecular Properties

Compound NameN-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline
PubChem CID164657353
Molecular FormulaC9H13FN2OS
Molecular Weight216.28 g/mol
Exact Mass216.07
IUPAC NameN-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline
SMILES[H]N=S(=O)(CC)Nc1c(C)cccc1F
InChIInChI=1S/C9H13FN2OS/c1-3-14(11,13)12-9-7(2)5-4-6-8(9)10/h4-6H,3H2,1-2H3,(H2,11,12,13)
InChIKeyPMPVBTGFLRQWQX-UHFFFAOYSA-N
XLogP2.53
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(ethylsulfonimidoyl)-6-methylaniline
CID 164644414
4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide
CID 106083705
N-(2,6-difluorophenyl)ethanesulfonamide
CID 60642898
N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106083706
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1-fluoro-3-methylbenzene
CID 106083766
N-(2,6-difluorophenyl)propane-1-sulfonamide
CID 60640758
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705310
5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide
CID 104705322
6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide
CID 114613769
2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705303
5-(aminomethyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106083691
2-fluoro-N,6-dimethylaniline;hydrochloride
CID 167737520

Frequently Asked Questions

What is the IUPAC name of N-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline?
The IUPAC name of N-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline (CID 164657353) is N-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline.
What is the SMILES notation for N-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline?
The canonical SMILES for N-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline is [H]N=S(=O)(CC)Nc1c(C)cccc1F.
What is the InChIKey of N-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline?
The InChIKey is PMPVBTGFLRQWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2OS/c1-3-14(11,13)12-9-7(2)5-4-6-8(9)10/h4-6H,3H2,1-2H3,(H2,11,12,13).
What are the key properties of N-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline?
N-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline has a molecular weight of 216.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline is sourced from PubChem (CID 164657353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).