2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide

C11H15ClN2O3S — CID 113277394

IUPAC2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCCS(=O)(=O)CC
InChIInChI=1S/C11H15ClN2O3S/c1-2-18(15,16)7-6-17-9-5-3-4-8(12)10(9)11(13)14/h3-5H,2,6-7H2,1H3,(H3,13,14)
InChIKeySVFHKBHMFZYZML-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.44
Rot. Bonds6

About 2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide

2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide (PubChem CID 113277394) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide
PubChem CID113277394
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCCS(=O)(=O)CC
InChIInChI=1S/C11H15ClN2O3S/c1-2-18(15,16)7-6-17-9-5-3-4-8(12)10(9)11(13)14/h3-5H,2,6-7H2,1H3,(H3,13,14)
InChIKeySVFHKBHMFZYZML-UHFFFAOYSA-N
XLogP1.44
TPSA93.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.44
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

2-chloro-6-(2-ethylsulfonylethoxy)benzoic acid
CID 113276812
2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide
CID 114323524
2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 112587805
2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62497195
2-chloro-6-(4-methylsulfonylphenoxy)benzenecarboximidamide
CID 62495683
3-chloro-4-(3-ethylsulfonylpropoxy)benzenecarboximidamide
CID 65093024
2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde
CID 60790501
2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323483
2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide
CID 114323500
2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 114323465
2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 113277398
2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile
CID 113277263

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide (CID 113277394) is 2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1OCCS(=O)(=O)CC.
What is the InChIKey of 2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide?
The InChIKey is SVFHKBHMFZYZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-2-18(15,16)7-6-17-9-5-3-4-8(12)10(9)11(13)14/h3-5H,2,6-7H2,1H3,(H3,13,14).
What are the key properties of 2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide?
2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide has a molecular weight of 290.77 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide is sourced from PubChem (CID 113277394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).