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

C9H13ClN2OS — CID 164644414

IUPAC2-chloro-N-(ethylsulfonimidoyl)-6-methylaniline
SMILES[H]N=S(=O)(CC)Nc1c(C)cccc1Cl
InChIInChI=1S/C9H13ClN2OS/c1-3-14(11,13)12-9-7(2)5-4-6-8(9)10/h4-6H,3H2,1-2H3,(H2,11,12,13)
InChIKeyNLBLSTSEAXTVGV-UHFFFAOYSA-N
MW232.74 g/mol
LogP3.04
Rot. Bonds3

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

2-chloro-N-(ethylsulfonimidoyl)-6-methylaniline (PubChem CID 164644414) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 2-chloro-N-(ethylsulfonimidoyl)-6-methylaniline.

Molecular Properties

Compound Name2-chloro-N-(ethylsulfonimidoyl)-6-methylaniline
PubChem CID164644414
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name2-chloro-N-(ethylsulfonimidoyl)-6-methylaniline
SMILES[H]N=S(=O)(CC)Nc1c(C)cccc1Cl
InChIInChI=1S/C9H13ClN2OS/c1-3-14(11,13)12-9-7(2)5-4-6-8(9)10/h4-6H,3H2,1-2H3,(H2,11,12,13)
InChIKeyNLBLSTSEAXTVGV-UHFFFAOYSA-N
XLogP3.04
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline
CID 164657353
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
N-(2-chloro-6-methylphenyl)-2-(methylamino)ethanesulfonamide
CID 66256869
1-[4-(aminomethyl)phenyl]-N-(2-chloro-6-methylphenyl)methanesulfonamide
CID 106070690
N-(2-chloro-6-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 66255534
N,N'-bis(2-chloro-6-methylphenyl)methanediamine
CID 22450713
5-[(2-chloro-6-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 66257029
4-(aminomethyl)-3-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 106070735
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)methanesulfonamide
CID 17257579
N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 66254566
3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 60532850
1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
CID 106070684

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(ethylsulfonimidoyl)-6-methylaniline?
The IUPAC name of 2-chloro-N-(ethylsulfonimidoyl)-6-methylaniline (CID 164644414) is 2-chloro-N-(ethylsulfonimidoyl)-6-methylaniline.
What is the SMILES notation for 2-chloro-N-(ethylsulfonimidoyl)-6-methylaniline?
The canonical SMILES for 2-chloro-N-(ethylsulfonimidoyl)-6-methylaniline is [H]N=S(=O)(CC)Nc1c(C)cccc1Cl.
What is the InChIKey of 2-chloro-N-(ethylsulfonimidoyl)-6-methylaniline?
The InChIKey is NLBLSTSEAXTVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/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 2-chloro-N-(ethylsulfonimidoyl)-6-methylaniline?
2-chloro-N-(ethylsulfonimidoyl)-6-methylaniline has a molecular weight of 232.74 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(ethylsulfonimidoyl)-6-methylaniline is sourced from PubChem (CID 164644414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).