5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide

C11H16ClN3O2S — CID 79850182

IUPAC5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)CCS(C)(=O)=O
InChIInChI=1S/C11H16ClN3O2S/c1-15(5-6-18(2,16)17)10-4-3-8(12)7-9(10)11(13)14/h3-4,7H,5-6H2,1-2H3,(H3,13,14)
InChIKeyZOJCVQQHRNOFJL-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.10
Rot. Bonds5

About 5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide

5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide (PubChem CID 79850182) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide
PubChem CID79850182
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N(C)CCS(C)(=O)=O
InChIInChI=1S/C11H16ClN3O2S/c1-15(5-6-18(2,16)17)10-4-3-8(12)7-9(10)11(13)14/h3-4,7H,5-6H2,1-2H3,(H3,13,14)
InChIKeyZOJCVQQHRNOFJL-UHFFFAOYSA-N
XLogP1.10
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 62493585
5-chloro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949729
5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
CID 62494096
2-[butan-2-yl(methyl)amino]-5-chlorobenzenecarboximidamide
CID 62493913
2-(bromomethyl)-4-chloro-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 107084510
2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide
CID 62494094
5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978649
4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200134
5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide
CID 62493777
5-amino-2-[methyl(2-methylsulfonylethyl)amino]benzoic acid
CID 63116676

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide?
The IUPAC name of 5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide (CID 79850182) is 5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N(C)CCS(C)(=O)=O.
What is the InChIKey of 5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide?
The InChIKey is ZOJCVQQHRNOFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-15(5-6-18(2,16)17)10-4-3-8(12)7-9(10)11(13)14/h3-4,7H,5-6H2,1-2H3,(H3,13,14).
What are the key properties of 5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide?
5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide has a molecular weight of 289.79 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[methyl(2-methylsulfonylethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 79850182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).